KEGG   DRUG: Gefitinib
Entry
D01977                      Drug                                   
Name
Gefitinib (JP18/USAN/INN);
Iressa (TN)
Product
IRESSA (AstraZeneca Pharmaceuticals LP)
  Generic
GEFITINIB (Apotex Corp.), GEFITINIB (Ingenus Pharmaceuticals), GEFITINIB (Natco Pharma USA LLC), GEFITINIB (Qilu Pharmaceutical), GEFITINIB (Teva Pharmaceuticals)
Formula
C22H24ClFN4O3
Exact mass
446.1521
Mol weight
446.90
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03162  EGFR inhibitor
Remark
Therapeutic category: 4291
ATC code: L01EB01
Product: D01977<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (EGFR mutation positive) [DS:H00014]
Target
EGFR* [HSA_VAR:1956v2] [HSA:1956] [KO:K04361]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05223  Non-small cell lung cancer
  Network
nt06266  Non-small cell lung cancer
Interaction
Structure map
map07045  Antineoplastics - protein kinase inhibitors
Other map
map01521  EGFR tyrosine kinase inhibitor resistance
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
     L01EB01 Gefitinib
      D01977  Gefitinib (JP18/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Epidermal Growth Factor Receptor Inhibitors
    Gefitinib
     D01977  Gefitinib (JP18/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D01977  Gefitinib (JP18/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     D01977  Gefitinib
Drug classes [BR:br08332]
 Antineoplastic
  DG03162  EGFR inhibitor
   D01977  Gefitinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D01977  Gefitinib (JP18/USAN/INN) <JP/US>
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D01977  Gefitinib
  D01977  Gefitinib tablets
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D01977
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D01977
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D01977
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D01977
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D01977
Other DBs
CAS: 184475-35-2
PubChem: 7849039
ChEBI: 49668
PDB-CCD: IRE[PDBj]
LigandBox: D01977
NIKKAJI: J1.437.124I
LinkDB
KCF data

ATOM        31
            1   C8x C    14.9262  -11.3780
            2   N5x N    14.9262  -12.7769
            3   C8y C    16.1377  -13.4764
            4   C8y C    17.3492  -12.7769
            5   C8y C    17.3492  -11.3780
            6   N5x N    16.1377  -10.6786
            7   C8x C    18.5607  -13.4764
            8   C8y C    19.7722  -12.7769
            9   C8y C    19.7722  -11.3780
            10  C8x C    18.5607  -10.6786
            11  N1b N    16.1377  -14.8754
            12  O2a O    20.9864  -10.6770
            13  C1a C    22.1998  -11.3776
            14  O2a O    20.9864  -13.4779
            15  C1b C    22.1998  -12.7773
            16  C1b C    23.4120  -13.4764
            17  C1b C    24.6236  -12.7769
            18  N1y N    25.8350  -13.4764
            19  C8y C    17.3499  -15.5752
            20  C8x C    17.3499  -16.9737
            21  C8y C    18.5614  -17.6732
            22  C8y C    19.7728  -16.9737
            23  C8x C    19.7728  -15.5752
            24  C8x C    18.5614  -14.8758
            25  X   F    20.9866  -17.6744
            26  X   Cl   18.5614  -19.0779
            27  C1x C    25.8349  -14.8826
            28  C1x C    27.0470  -15.5825
            29  O2x O    28.2592  -14.8827
            30  C1x C    28.2593  -13.4765
            31  C1x C    27.0472  -12.7766
BOND        34
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    3  11 1
            13    9  12 1
            14   12  13 1
            15    8  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   11  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   19  24 1
            27   22  25 1
            28   21  26 1
            29   18  27 1
            30   27  28 1
            31   28  29 1
            32   29  30 1
            33   30  31 1
            34   18  31 1

» Japanese version   » Back

KEGG   DRUG: Erlotinib hydrochloride
Entry
D04023                      Drug                                   
Name
Erlotinib hydrochloride (JAN/USAN);
Tarceva (TN)
Product
TARCEVA (Genentech)
  Generic
ERLOTINIB (Armas Pharmaceuticals), ERLOTINIB (Armas Pharmaceuticals), ERLOTINIB (Armas Pharmaceuticals), ERLOTINIB (Aurobindo Pharma Limited), ERLOTINIB (Breckenridge Pharmaceutical), ERLOTINIB (Camber Pharmaceuticals), ERLOTINIB (Sun Pharmaceutical Industries), ERLOTINIB (Teva Pharmaceuticals USA), ERLOTINIB (Zydus Lifesciences Limited), ERLOTINIB (Zydus Pharmaceuticals USA), ERLOTINIB HYDROCHLORIDE (Alembic Pharmaceuticals Limited), ERLOTINIB HYDROCHLORIDE (Alembic Pharmaceuticals), ERLOTINIB HYDROCHLORIDE (MSN LABORATORIES PRIVATE LIMITED), ERLOTINIB HYDROCHLORIDE (Novadoz Pharmaceuticals LLC)
Formula
C22H23N3O4. HCl
Exact mass
429.1455
Mol weight
429.89
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03162  EGFR inhibitor
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L01EB02
Chemical structure group: DG00711
Product (DG00711): D04023<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (EGFR mutation positive) [DS:H00014]
Pancreatic cancer [DS:H00019]
Target
EGFR* [HSA_VAR:1956v2] [HSA:1956] [KO:K04361]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05212  Pancreatic cancer
hsa05223  Non-small cell lung cancer
  Network
nt06266  Non-small cell lung cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP1A2 [HSA:1544]
Interaction
Structure map
map07045  Antineoplastics - protein kinase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
     L01EB02 Erlotinib
      D04023  Erlotinib hydrochloride (JAN/USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Epidermal Growth Factor Receptor Inhibitors
    Erlotinib
     D04023  Erlotinib hydrochloride (JAN/USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D04023  Erlotinib hydrochloride (JAN/USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG00711  Erlotinib
      D04023  Erlotinib hydrochloride
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00711  Erlotinib
    D04023  Erlotinib hydrochloride
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00711  Erlotinib
     D04023  Erlotinib hydrochloride
Drug classes [BR:br08332]
 Antineoplastic
  DG03162  EGFR inhibitor
   D04023  Erlotinib hydrochloride
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D04023  Erlotinib hydrochloride (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04023
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D04023
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04023
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04023
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04023
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D04023
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG00711  Erlotinib
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00711  Erlotinib
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00711  Erlotinib
Other DBs
CAS: 183319-69-9
PubChem: 17398007
ChEBI: 53509
LigandBox: D04023
LinkDB
KCF data

ATOM        30
            1   C8x C    10.3936  -13.0286
            2   N5x N    10.3936  -14.4351
            3   C8y C    11.6594  -15.1383
            4   C8y C    12.8550  -14.4351
            5   C8y C    12.8550  -13.0286
            6   N5x N    11.6594  -12.3253
            7   C8x C    14.0505  -15.1383
            8   C8y C    15.2460  -14.4351
            9   C8y C    15.2460  -13.0286
            10  C8x C    14.0505  -12.3253
            11  N1b N    11.6594  -16.4745
            12  C8y C    12.8550  -17.1777
            13  C8x C    12.8550  -18.5842
            14  C8y C    14.0505  -19.2875
            15  C8x C    15.2460  -18.5842
            16  C8x C    15.2460  -17.1777
            17  C8x C    14.0505  -16.4745
            18  O2a O    16.4640  -12.3253
            19  C1b C    17.6821  -13.0286
            20  C1b C    18.9002  -12.3253
            21  O2a O    20.1182  -13.0286
            22  C1a C    21.3363  -12.3253
            23  O2a O    16.4640  -15.1383
            24  C1b C    17.6821  -14.4351
            25  C1b C    18.9002  -15.1383
            26  O2a O    20.1182  -14.4351
            27  C1a C    21.3363  -15.1383
            28  C3b C    14.0500  -20.7199
            29  C3a C    14.0500  -22.1199
            30  X   Cl   26.8496  -15.6306
BOND        31
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 2
            7     4   7 2
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11    5  10 2
            12    3  11 1
            13   11  12 1
            14   12  13 2
            15   13  14 1
            16   14  15 2
            17   15  16 1
            18   16  17 2
            19   12  17 1
            20    9  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25    8  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   14  28 1
            31   28  29 3

» Japanese version   » Back

KEGG   DRUG: Afatinib dimaleate
Entry
D09733                      Drug                                   
Name
Afatinib dimaleate (USAN);
Afatinib maleate (JAN);
Gilotrif (TN);
Giotrif (TN)
Product
GILOTRIF (Boehringer Ingelheim Pharmaceuticals)
Formula
C24H25ClFN5O3. (C4H4O4)2
Exact mass
717.1849
Mol weight
718.08
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03162  EGFR inhibitor
Transporter substrate
 DG01665  ABCB1 substrate
Remark
Therapeutic category: 4291
ATC code: L01EB03
Chemical structure group: DG00717
Product (DG00717): D09733<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (EGFR mutation positive) [DS:H00014]
Target
EGFR* [HSA_VAR:1956v2] [HSA:1956] [KO:K04361]
ERBB2 (HER2, CD340) [HSA:2064] [KO:K05083]
ERBB4 (HER4) [HSA:2066] [KO:K05085]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05223  Non-small cell lung cancer
  Network
nt06266  Non-small cell lung cancer
Metabolism
Transporter: ABCB1 [HSA:5243]
Interaction
Structure map
map07045  Antineoplastics - protein kinase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
     L01EB03 Afatinib
      D09733  Afatinib dimaleate (USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Epidermal Growth Factor Receptor Inhibitors
    Afatinib
     D09733  Afatinib dimaleate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D09733  Afatinib dimaleate (USAN); Afatinib maleate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG00717  Afatinib
      D09733  Afatinib dimaleate
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00717  Afatinib
    D09733  Afatinib dimaleate
Drug classes [BR:br08332]
 Antineoplastic
  DG03162  EGFR inhibitor
   D09733  Afatinib dimaleate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D09733  Afatinib dimaleate (USAN) <JP/US>
    ERBB2 (HER2, CD340)
     D09733  Afatinib dimaleate (USAN) <JP/US>
    ERBB4 (HER4)
     D09733  Afatinib dimaleate (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D09733
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D09733
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D09733
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D09733
Drug metabolizing enzymes and transporters [br08309.html]
 Drug transporters
  D09733
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D09733
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG00717  Afatinib
 Transporter substrate
  DG01665  ABCB1 substrate
   DG00717  Afatinib
Other DBs
PubChem: 124490473
ChEBI: 76003
LigandBox: D09733
LinkDB
KCF data

ATOM        50
            1   C2b C    26.0737  -14.3060
            2   C2b C    27.4759  -14.3060
            3   C6a C    25.3727  -15.5202
            4   O6a O    23.9707  -15.5202
            5   O6a O    26.0641  -16.7175
            6   C6a C    28.1769  -15.5202
            7   O6a O    29.5788  -15.5202
            8   O6a O    27.4855  -16.7175
            9   C8x C     6.5739  -14.4223
            10  N5x N     6.5739  -15.8855
            11  C8y C     7.8281  -16.5823
            12  C8y C     9.0822  -15.8855
            13  C8y C     9.0822  -14.4223
            14  N5x N     7.8281  -13.7255
            15  C8x C    10.2667  -16.5823
            16  C8y C    11.4512  -15.8855
            17  C8y C    11.4512  -14.4223
            18  C8x C    10.2667  -13.7255
            19  N1b N     7.8281  -17.9758
            20  C8y C     9.0822  -18.6725
            21  C8x C     9.0822  -19.9964
            22  C8y C    10.2667  -20.6931
            23  C8y C    11.4512  -19.9964
            24  C8x C    11.4512  -18.6725
            25  C8x C    10.2667  -17.9758
            26  X   F    12.7054  -20.6931
            27  X   Cl   10.2667  -22.1563
            28  N1b N    12.6357  -16.5126
            29  C5a C    13.8202  -15.8158
            30  C2b C    15.0047  -16.5126
            31  O5a O    13.8202  -14.4223
            32  C2b C    16.1892  -15.8158
            33  C1b C    17.3737  -16.5126
            34  N1c N    18.5582  -15.8158
            35  C1a C    19.7427  -16.5126
            36  C1a C    18.5582  -14.4223
            37  O2a O    12.6357  -13.7952
            38  C1y C    12.6357  -12.4017
            39  C1x C    13.8202  -11.4959
            40  C1x C    13.3325  -10.1721
            41  O2x O    11.9390  -10.1721
            42  C1x C    11.4512  -11.4959
            43  C2b C    26.0737  -14.3060
            44  C2b C    27.4759  -14.3060
            45  C6a C    28.1769  -15.5202
            46  O6a O    29.5788  -15.5202
            47  O6a O    27.4855  -16.7175
            48  C6a C    25.3727  -15.5202
            49  O6a O    23.9707  -15.5202
            50  O6a O    26.0641  -16.7175
BOND        51
            1     9  10 1
            2    10  11 2
            3    11  12 1
            4    12  13 1
            5    13  14 1
            6     9  14 2
            7    12  15 2
            8    15  16 1
            9    16  17 2
            10   17  18 1
            11   13  18 2
            12   11  19 1
            13   19  20 1
            14   20  21 2
            15   21  22 1
            16   22  23 2
            17   23  24 1
            18   24  25 2
            19   20  25 1
            20   23  26 1
            21   22  27 1
            22   16  28 1
            23   28  29 1
            24   29  30 1
            25   29  31 2
            26   30  32 2
            27   32  33 1
            28   33  34 1
            29   34  35 1
            30   34  36 1
            31   17  37 1
            32   38  37 1 #Down
            33   38  39 1
            34   39  40 1
            35   40  41 1
            36   41  42 1
            37   38  42 1
            38    1   2 2
            39    1   3 1
            40    3   4 1
            41    3   5 2
            42    2   6 1
            43    6   7 2
            44    6   8 1
            45   43  44 2
            46   43  48 1
            47   48  49 1
            48   48  50 2
            49   44  45 1
            50   45  46 2
            51   45  47 1
BRACKET     1    22.3300  -18.2700   22.3300  -13.3700
            1    30.5200  -13.3700   30.5200  -18.2700
            1  2
 ORIGINAL  1    1   2   6   7   8   3   4   5
 REPEAT    1   43  44  45  46  47  48  49  50

» Japanese version   » Back

KEGG   DRUG: Dacomitinib
Entry
D10514                      Drug                                   
Name
Dacomitinib (USAN);
Dacomitinib hydrate (JAN);
Vizimpro (TN)
Product
VIZIMPRO (Pfizer Laboratories Div Pfizer), VIZIMPRO (U.S. Pharmaceuticals)
Formula
C24H25ClFN5O2. H2O
Exact mass
487.1786
Mol weight
487.95
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03162  EGFR inhibitor
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Therapeutic category: 4291
ATC code: L01EB07
Chemical structure group: DG01793
Product (DG01793): D10514<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (EGFR mutation positive) [DS:H00014]
Target
EGFR* [HSA_VAR:1956v2] [HSA:1956] [KO:K04361]
ERBB2 (HER2, CD340) [HSA:2064] [KO:K05083]
ERBB4 (HER4) [HSA:2066] [KO:K05085]
  Pathway
hsa04012  ErbB signaling pathway
hsa04020  Calcium signaling pathway
hsa05205  Proteoglycans in cancer
hsa05223  Non-small cell lung cancer
  Network
nt06266  Non-small cell lung cancer
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
     L01EB07 Dacomitinib
      D10514  Dacomitinib (USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Epidermal Growth Factor Receptor Inhibitors
    Dacomitinib
     D10514  Dacomitinib (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10514  Dacomitinib (USAN); Dacomitinib hydrate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG01793  Dacomitinib
      D10514  Dacomitinib
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG01793  Dacomitinib
    D10514  Dacomitinib
Drug classes [BR:br08332]
 Antineoplastic
  DG03162  EGFR inhibitor
   D10514  Dacomitinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D10514  Dacomitinib (USAN) <JP/US>
    ERBB2 (HER2, CD340)
     D10514  Dacomitinib (USAN) <JP/US>
    ERBB4 (HER4)
     D10514  Dacomitinib (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10514
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10514
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10514
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10514
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10514
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10514
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG01793  Dacomitinib
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG01793  Dacomitinib
Other DBs
CAS: 1042385-75-0
PubChem: 172232607
LinkDB
KCF data

ATOM        34
            1   C8y C    16.1544  -13.1441
            2   C8y C    16.1544  -14.5430
            3   C8x C    14.9654  -15.2424
            4   C8y C    13.7763  -14.5430
            5   C8y C    13.7763  -13.1441
            6   C8x C    14.9654  -12.4447
            7   C8y C    12.5174  -15.2424
            8   N5x N    11.3283  -14.5430
            9   C8x C    11.3283  -13.1441
            10  N5x N    12.5174  -12.4447
            11  N1b N    17.4134  -15.2424
            12  O2a O    17.4134  -12.4447
            13  N1b N    12.5174  -16.6413
            14  C1a C    17.4134  -11.0458
            15  C5a C    18.6024  -14.5430
            16  C2b C    19.8614  -15.2424
            17  O5a O    18.6024  -13.1441
            18  C2b C    20.9805  -14.5430
            19  C1b C    22.2395  -15.2424
            20  N1y N    23.4285  -14.4730
            21  C1x C    24.6175  -15.1725
            22  C1x C    25.8065  -14.4730
            23  C1x C    25.8066  -13.0742
            24  C1x C    24.6175  -12.3747
            25  C1x C    23.4285  -13.0742
            26  C8y C    13.7064  -17.3407
            27  C8x C    13.7064  -18.7396
            28  C8y C    14.9654  -19.4390
            29  C8y C    16.1544  -18.7396
            30  C8x C    16.1544  -17.3407
            31  C8x C    14.9654  -16.6413
            32  X   Cl   14.9654  -20.8379
            33  X   F    17.3434  -19.4390
            34  O0  O    23.9400  -19.2500
BOND        36
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    2  11 1
            13    1  12 1
            14    7  13 1
            15   12  14 1
            16   11  15 1
            17   15  16 1
            18   15  17 2
            19   16  18 2
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   20  25 1
            28   13  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   26  31 1
            35   28  32 1
            36   29  33 1

» Japanese version   » Back

KEGG   DRUG: Osimertinib mesylate
Entry
D10766                      Drug                                   
Name
Osimertinib mesylate (USAN);
Osimertinib mesilate (JAN);
Tagrisso (TN)
Product
TAGRISSO (AstraZeneca Pharmaceuticals LP)
Formula
C28H33N7O2. CH4SO3
Exact mass
595.2577
Mol weight
595.72
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03162  EGFR inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Transporter inhibitor
 DG02862  ABCG2 inhibitor
Remark
Therapeutic category: 4291
ATC code: L01EB04
Product: D10766<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (EGFR mutation positive) [DS:H00014]
Target
EGFR* [HSA_VAR:1956v2] [HSA:1956] [KO:K04361]
  Pathway
hsa01521  EGFR tyrosine kinase inhibitor resistance
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05223  Non-small cell lung cancer
  Network
nt06266  Non-small cell lung cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Transporter inhibition: ABCG2 [HSA:9429]
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
     L01EB04 Osimertinib
      D10766  Osimertinib mesylate (USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Epidermal Growth Factor Receptor Inhibitors
    Osimertinib
     D10766  Osimertinib mesylate (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10766  Osimertinib mesylate (USAN); Osimertinib mesilate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     D10766  Osimertinib mesylate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D10766  Osimertinib mesylate
 Transporter inhibitor
  DG02862  ABCG2 inhibitor
   D10766  Osimertinib mesylate
Drug classes [BR:br08332]
 Antineoplastic
  DG03162  EGFR inhibitor
   D10766  Osimertinib mesylate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D10766  Osimertinib mesylate (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10766
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10766
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10766
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10766
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10766
 Drug transporters
  D10766
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10766
Other DBs
CAS: 1421373-66-1
PubChem: 310920484
ChEBI: 90948
LinkDB
KCF data

ATOM        42
            1   C8y C    15.8155  -13.2242
            2   N5x N    15.8155  -14.6236
            3   C8y C    17.0050  -15.3233
            4   N5x N    18.2645  -14.6236
            5   C8x C    18.2645  -13.2242
            6   C8x C    17.0050  -12.5245
            7   C8y C    14.6003  -12.5262
            8   C8x C    14.6279  -11.1251
            9   N4y N    13.3039  -10.6659
            10  C8y C    12.4581  -11.7832
            11  C8y C    13.2592  -12.9328
            12  C8x C    11.0637  -11.9021
            13  C8x C    10.4694  -13.1690
            14  C8x C    11.2707  -14.3187
            15  C8x C    12.6650  -14.1998
            16  C1a C    12.8886   -9.2966
            17  N1b N    16.9878  -16.7226
            18  C8y C    18.2037  -17.4448
            19  C8x C    18.1866  -18.8219
            20  C8y C    19.3897  -19.5366
            21  C8y C    20.6803  -18.8521
            22  C8x C    20.6274  -17.4750
            23  C8y C    19.4243  -16.7602
            24  O2a O    19.3720  -15.3934
            25  C1a C    20.6720  -14.7043
            26  N1b N    19.3724  -20.9210
            27  C5a C    18.1606  -21.6005
            28  C2b C    16.9914  -20.9059
            29  O5a O    18.1425  -23.0191
            30  C2a C    15.7749  -21.5882
            31  N1c N    21.8239  -19.5735
            32  C1b C    23.0438  -18.8898
            33  C1a C    21.8058  -20.9907
            34  C1b C    24.2317  -19.5961
            35  N1c N    25.4394  -18.9193
            36  C1a C    26.6533  -19.6413
            37  C1a C    25.3871  -17.4925
            38  S4a S    25.1915  -11.9653
            39  O1d O    25.1915  -10.5658
            40  O1d O    25.1915  -13.3647
            41  C1a C    23.7921  -11.9653
            42  O1d O    26.5909  -11.9653
BOND        44
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     1   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12    7  11 1
            13   10  12 2
            14   12  13 1
            15   13  14 2
            16   14  15 1
            17   11  15 2
            18    9  16 1
            19    3  17 1
            20   17  18 1
            21   18  19 2
            22   19  20 1
            23   20  21 2
            24   21  22 1
            25   22  23 2
            26   18  23 1
            27   23  24 1
            28   24  25 1
            29   20  26 1
            30   26  27 1
            31   27  28 1
            32   27  29 2
            33   28  30 2
            34   21  31 1
            35   31  32 1
            36   31  33 1
            37   32  34 1
            38   34  35 1
            39   35  36 1
            40   35  37 1
            41   38  39 2
            42   38  40 2
            43   38  41 1
            44   38  42 1

» Japanese version   » Back

KEGG   DRUG: Amivantamab
Entry
D11894                      Drug                                   
Name
Amivantamab (USAN/INN);
Amivantamab (genetical recombination) (JAN);
Amivantamab-vmjw;
Rybrevant (TN)
Product
RYBREVANT (Janssen Biotech)
Formula
C6472H10014N1730O2023S46
Exact mass
145810.1055
Mol weight
145900.22
Sequence
(A chain)
QVQLVESGGG VVQPGRSLRL SCAASGFTFS TYGMHWVRQA PGKGLEWVAV IWDDGSYKYY
GDSVKGRFTI SRDNSKNTLY LQMNSLRAED TAVYYCARDG ITMVRGVMKD YFDYWGQGTL
VTVSSASTKG PSVFPLAPSS KSTSGGTAAL GCLVKDYFPE PVTVSWNSGA LTSGVHTFPA
VLQSSGLYSL SSVVTVPSSS LGTQTYICNV NHKPSNTKVD KRVEPKSCDK THTCPPCPAP
ELLGGPSVFL FPPKPKDTLM ISRTPEVTCV VVDVSHEDPE VKFNWYVDGV EVHNAKTKPR
EEQYNSTYRV VSVLTVLHQD WLNGKEYKCK VSNKALPAPI EKTISKAKGQ PREPQVYTLP
PSREEMTKNQ VSLTCLVKGF YPSDIAVEWE SNGQPENNYK TTPPVLDSDG SFLLYSKLTV
DKSRWQQGNV FSCSVMHEAL HNHYTQKSLS LSPGK
(B chain)
QVQLVQSGAE VKKPGASVKV SCETSGYTFT SYGISWVRQA PGHGLEWMGW ISAYNGYTNY
AQKLQGRVTM TTDTSTSTAY MELRSLRSDD TAVYYCARDL RGTNYFDYWG QGTLVTVSSA
STKGPSVFPL APSSKSTSGG TAALGCLVKD YFPEPVTVSW NSGALTSGVH TFPAVLQSSG
LYSLSSVVTV PSSSLGTQTY ICNVNHKPSN TKVDKRVEPK SCDKTHTCPP CPAPELLGGP
SVFLFPPKPK DTLMISRTPE VTCVVVDVSH EDPEVKFNWY VDGVEVHNAK TKPREEQYNS
TYRVVSVLTV LHQDWLNGKE YKCKVSNKAL PAPIEKTISK AKGQPREPQV YTLPPSREEM
TKNQVSLTCL VKGFYPSDIA VEWESNGQPE NNYKTTPPVL DSDGSFFLYS RLTVDKSRWQ
QGNVFSCSVM HEALHNHYTQ KSLSLSPGK
(C chain)
AIQLTQSPSS LSASVGDRVT ITCRASQDIS SALVWYQQKP GKAPKLLIYD ASSLESGVPS
RFSGSESGTD FTLTISSLQP EDFATYYCQQ FNSYPLTFGG GTKVEIKRTV AAPSVFIFPP
SDEQLKSGTA SVVCLLNNFY PREAKVQWKV DNALQSGNSQ ESVTEQDSKD STYSLSSTLT
LSKADYEKHK VYACEVTHQG LSSPVTKSFN RGEC
(D chain)
DIQMTQSPSS VSASVGDRVT ITCRASQGIS NWLAWFQHKP GKAPKLLIYA ASSLLSGVPS
RFSGSGSGTD FTLTISSLQP EDFATYYCQQ ANSFPITFGQ GTRLEIKRTV AAPSVFIFPP
SDEQLKSGTA SVVCLLNNFY PREAKVQWKV DNALQSGNSQ ESVTEQDSKD STYSLSSTLT
LSKADYEKHK VYACEVTHQG LSSPVTKSFN RGEC
(Disulfide bridge: A22-A96, A152-A208, A228-C214, A234-B228, A237-B231, A269-A329, A375-A433, B22-B96, B146-B202, B222-D214, B263-B323, B369-B427, C23-C88, C134-C194, D23-D88, D134-D194)
  Type
Peptide
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03162  EGFR inhibitor
Remark
Therapeutic category: 4291
ATC code: L01FX18
Product: D11894<JP/US>
Efficacy
Antineoplastic
  Disease
Non-small cell lung cancer (EGFR exon 20 insertion) [DS:H00014]
  Type
Bispecific antibody
Target
EGFR* [HSA_VAR:1956v2] [HSA:1956] [KO:K04361]
MET [HSA:4233] [KO:K05099]
  Pathway
hsa04010  MAPK signaling pathway
hsa04014  Ras signaling pathway
hsa04015  Rap1 signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa04510  Focal adhesion
hsa04520  Adherens junction
hsa05200  Pathways in cancer
hsa05223  Non-small cell lung cancer
  Network
nt06266  Non-small cell lung cancer
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01F MONOCLONAL ANTIBODIES AND ANTIBODY DRUG CONJUGATES
    L01FX Other monoclonal antibodies and antibody drug conjugates
     L01FX18 Amivantamab
      D11894  Amivantamab (USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Monoclonal Antibody/Antibody-Drug Conjugate
   Anti-EGFR Antibodies
    Amivantamab
     D11894  Amivantamab (USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D11894  Amivantamab (USAN/INN); Amivantamab (genetical recombination) (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     D11894  Amivantamab
Drug classes [BR:br08332]
 Antineoplastic
  DG03162  EGFR inhibitor
   D11894  Amivantamab
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D11894  Amivantamab (USAN/INN) <JP/US>
   MET family
    MET
     D11894  Amivantamab (USAN/INN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11894
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D11894
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11894
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D11894
Other DBs
CAS: 2171511-58-1
PubChem: 497620307
LinkDB

» Japanese version   » Back

KEGG   DRUG: Mobocertinib succinate
Entry
D11969                      Drug                                   
Name
Mobocertinib succinate (JAN);
Exkivity (TN)
Formula
C32H39N7O4. C4H6O4
Exact mass
703.3330
Mol weight
703.78
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Remark
ATC code: L01EB10
Chemical structure group: DG03148
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (EGFR exon 20 insertion mutation) [DS:H00014]
Target
EGFR* [HSA_VAR:1956v2] [HSA:1956] [KO:K04361]
  Pathway
hsa01521  EGFR tyrosine kinase inhibitor resistance
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05223  Non-small cell lung cancer
  Network
nt06266  Non-small cell lung cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
     L01EB10 Mobocertinib
      D11969  Mobocertinib succinate (JAN)
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Endothelial Growth Factor Inhibitors
    Mobocertinib
     D11969  Mobocertinib succinate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03148  Mobocertinib
     D11969  Mobocertinib succinate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG03148  Mobocertinib
    D11969  Mobocertinib succinate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D11969  Mobocertinib succinate (JAN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D11969
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D11969
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D11969
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D11969
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03148  Mobocertinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG03148  Mobocertinib
Other DBs
PubChem: 497620382
LinkDB
KCF data

ATOM        51
            1   C8y C    19.3101  -20.0765
            2   C8y C    20.5691  -19.3770
            3   C8x C    20.5691  -17.9781
            4   C8y C    19.3800  -17.2786
            5   C8y C    18.1210  -17.9781
            6   C8x C    18.1210  -19.3770
            7   N1b N    16.9319  -17.2786
            8   C8y C    16.9319  -15.8797
            9   N5x N    18.1909  -15.1802
            10  C8x C    18.1909  -13.7813
            11  C8y C    16.9319  -13.0818
            12  C8y C    15.7428  -13.7813
            13  N5x N    15.7428  -15.1802
            14  C8y C    14.5537  -13.0818
            15  O2a O    19.3800  -15.8797
            16  C1a C    20.5691  -15.1802
            17  C8x C    14.2739  -11.6829
            18  N4y N    12.8750  -11.5430
            19  C8y C    12.3154  -12.8020
            20  C8y C    13.2947  -13.7113
            21  C8x C    10.9864  -13.2217
            22  C8x C    10.6367  -14.5507
            23  C8x C    11.6859  -15.5299
            24  C8x C    13.0149  -15.1103
            25  C1a C    12.1755  -10.2839
            26  N1c N    21.7582  -20.0765
            27  C1a C    21.7582  -21.4754
            28  C1b C    22.9473  -19.4470
            29  N1b N    19.3101  -21.4754
            30  C5a C    18.1210  -22.1749
            31  C2b C    16.8620  -21.4754
            32  O5a O    18.1210  -23.5738
            33  C1b C    24.2064  -20.1464
            34  N1c N    25.3955  -19.4470
            35  C1a C    26.5846  -20.1464
            36  C1a C    25.3955  -18.0480
            37  C2a C    15.6729  -22.1749
            38  C7a C    16.9319  -11.6829
            39  O7a O    15.7428  -10.9134
            40  O6a O    18.1210  -10.9134
            41  C1c C    15.7428   -9.5145
            42  C1a C    14.4838   -8.8150
            43  C1a C    16.9319   -8.8150
            44  C6a C    26.3900  -12.8800
            45  C1b C    27.6024  -13.5800
            46  O6a O    25.1776  -13.5800
            47  C1b C    28.7979  -12.8896
            48  C6a C    29.9853  -13.5751
            49  O6a O    31.1765  -12.8871
            50  O6a O    29.9855  -14.9798
            51  O6a O    26.3900  -11.4800
BOND        53
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15   12  14 1
            16    4  15 1
            17   15  16 1
            18   14  17 2
            19   17  18 1
            20   18  19 1
            21   19  20 2
            22   14  20 1
            23   19  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   20  24 1
            28   18  25 1
            29    2  26 1
            30   26  27 1
            31   26  28 1
            32    1  29 1
            33   29  30 1
            34   30  31 1
            35   30  32 2
            36   28  33 1
            37   33  34 1
            38   34  35 1
            39   34  36 1
            40   31  37 2
            41   11  38 1
            42   38  39 1
            43   38  40 2
            44   39  41 1
            45   41  42 1
            46   41  43 1
            47   44  45 1
            48   44  46 1
            49   45  47 1
            50   47  48 1
            51   48  49 1
            52   48  50 2
            53   44  51 2

» Japanese version   » Back

KEGG   DRUG: Lazertinib mesylate
Entry
D12245                      Drug                                   
Name
Lazertinib mesylate (USAN);
Lazertinib mesilate hydrate (JAN);
Lazcluze (TN)
Product
LAZCLUZE (Janssen Biotech)
Formula
C30H34N8O3. CH4SO3. H2O
Exact mass
668.2741
Mol weight
668.77
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03162  EGFR inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L01EB09
Chemical structure group: DG03205
Product (DG03205): D12245<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (EGFR exon 19 deletions or exon 21 (L858R) substitution mutated) [DS:H00014]
Target
EGFR* [HSA_VAR:1956v2] [HSA:1956] [KO:K04361]
  Pathway
hsa01521  EGFR tyrosine kinase inhibitor resistance
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
  Network
nt06266  Non-small cell lung cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576]
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
     L01EB09 Lazertinib
      D12245  Lazertinib mesylate (USAN) <JP/US>
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D12245  Lazertinib mesylate (USAN); Lazertinib mesilate hydrate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG03205  Lazertinib
      D12245  Lazertinib mesylate
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03205  Lazertinib
     D12245  Lazertinib mesylate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D12245  Lazertinib mesylate (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12245
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D12245
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D12245
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12245
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12245
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D12245
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG03205  Lazertinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG03205  Lazertinib
Other DBs
CAS: 2411549-88-5
PubChem: 497620658
LinkDB
KCF data

ATOM        47
            1   C8x C    20.2088  -20.1386
            2   C8y C    20.2088  -18.7353
            3   C8y C    21.4017  -18.0336
            4   C8x C    22.6647  -18.7353
            5   C8y C    22.6647  -20.1386
            6   C8y C    21.4017  -20.8403
            7   N1y N    23.8576  -20.8403
            8   N1b N    19.0159  -18.0336
            9   O2a O    21.4017  -16.6302
            10  C1x C    25.0504  -20.1386
            11  C1x C    26.3135  -20.8403
            12  O2x O    26.3135  -22.2437
            13  C1x C    25.1206  -22.9454
            14  C1x C    23.8576  -22.2437
            15  N1b N    21.4017  -22.2437
            16  C5a C    20.2088  -22.9454
            17  C2b C    19.0159  -22.2437
            18  O5a O    20.2088  -24.3488
            19  C2a C    17.8231  -22.9454
            20  C1a C    22.5945  -15.9285
            21  C8y C    19.0159  -16.6302
            22  N5x N    20.2088  -15.9285
            23  C8x C    20.2088  -14.5251
            24  C8x C    19.0159  -13.8234
            25  C8y C    17.8231  -14.5251
            26  N5x N    17.8231  -15.9285
            27  N4y N    16.6302  -13.8234
            28  N5x N    16.6302  -12.4201
            29  C8y C    15.2970  -11.9990
            30  C8y C    14.4550  -13.1217
            31  C8x C    15.2268  -14.2444
            32  C8y C    14.8760  -10.6658
            33  C8x C    15.7882   -9.6133
            34  C8x C    15.3671   -8.2801
            35  C8x C    14.0339   -7.9994
            36  C8x C    13.0516   -9.0520
            37  C8x C    13.4726  -10.3852
            38  C1b C    13.0516  -13.1217
            39  N1c N    12.3499  -14.3146
            40  C1a C    10.9465  -14.3146
            41  C1a C    13.0516  -15.5075
            42  S4a S    25.2700  -10.5700
            43  C1a C    23.8700  -10.5700
            44  O1d O    26.6700  -10.5700
            45  O1d O    25.2700   -9.1700
            46  O1d O    25.2700  -11.9700
            47  O0  O    27.0900  -14.3500
BOND        49
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     2   8 1
            9     3   9 1
            10    7  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15    7  14 1
            16    6  15 1
            17   15  16 1
            18   16  17 1
            19   16  18 2
            20   17  19 2
            21    9  20 1
            22    8  21 1
            23   21  22 2
            24   22  23 1
            25   23  24 2
            26   24  25 1
            27   25  26 2
            28   21  26 1
            29   25  27 1
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   27  31 1
            35   29  32 1
            36   32  33 2
            37   33  34 1
            38   34  35 2
            39   35  36 1
            40   36  37 2
            41   32  37 1
            42   30  38 1
            43   38  39 1
            44   39  40 1
            45   39  41 1
            46   42  43 1
            47   42  44 1
            48   42  45 2
            49   42  46 2

» Japanese version   » Back

KEGG   DRUG: Sunvozertinib
Entry
D12506                      Drug                                   
Name
Sunvozertinib (USAN/INN);
Zegfrovy (TN)
Formula
C29H35ClFN7O3
Exact mass
583.2474
Mol weight
584.08
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03162  EGFR inhibitor
Metabolizing enzyme substrate
 DG01633  CYP3A/CYP3A4 substrate
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (EGFR exon 20 insertion mutation) [DS:H00014]
Comment
Treatment of non-small cell lung cancer
Target
EGFR* [HSA_VAR:1956v2] [HSA:1956] [KO:K04361]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
  Network
nt06266  Non-small cell lung cancer
Metabolism
Enzyme: CYP3A [HSA:1576 1577 1551]
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     D12506  Sunvozertinib
 Metabolizing enzyme substrate
  DG01633  CYP3A/CYP3A4 substrate
   D12506  Sunvozertinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D12506  Sunvozertinib (USAN/INN)
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D12506
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D12506
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D12506
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D12506
Other DBs
CAS: 2370013-12-8
PubChem: 497620919
LinkDB
KCF data

ATOM        41
            1   C8y C    20.7991  -20.5153
            2   N5x N    20.7991  -21.9157
            3   C8y C    21.9894  -22.6159
            4   N5x N    23.2498  -21.9157
            5   C8x C    23.2498  -20.5153
            6   C8x C    21.9894  -19.8151
            7   N1b N    21.9722  -24.0162
            8   C8y C    23.1889  -24.7389
            9   C8x C    23.1718  -26.1169
            10  C8y C    24.3758  -26.8321
            11  C8y C    25.5972  -26.1471
            12  C8x C    25.6143  -24.7691
            13  C8y C    24.4104  -24.0538
            14  N1b N    19.5834  -19.8200
            15  C8y C    18.3947  -20.5130
            16  C8y C    17.1980  -19.8286
            17  C8x C    15.9880  -20.5337
            18  C8y C    15.9937  -21.9341
            19  C8y C    17.1904  -22.6185
            20  C8x C    18.4003  -21.9134
            21  X   F    14.7728  -22.6459
            22  C1d C    17.1920  -18.4152
            23  O1a O    17.1920  -17.0148
            24  C1a C    15.8616  -18.4152
            25  C1a C    18.6624  -18.4152
            26  X   Cl   17.1959  -24.0158
            27  O2a O    24.4281  -22.6860
            28  C1a C    25.6589  -21.9964
            29  N1b N    24.3585  -28.2175
            30  C5a C    23.1458  -28.8975
            31  O5a O    23.1977  -30.3171
            32  N1y N    26.8117  -26.8690
            33  C1x C    26.9420  -28.2822
            34  C1y C    28.3263  -28.5951
            35  C1x C    29.0516  -27.3751
            36  C1x C    28.1155  -26.3084
            37  N1c N    28.8750  -29.8703
            38  C1a C    30.2453  -30.0322
            39  C1a C    28.0159  -31.0219
            40  C2b C    21.9591  -28.2313
            41  C2a C    20.7834  -28.9292
BOND        44
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     3   7 1
            8     7   8 1
            9     8   9 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    1  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   17  18 2
            20   18  19 1
            21   19  20 2
            22   15  20 1
            23   18  21 1
            24   16  22 1
            25   22  23 1
            26   22  24 1
            27   22  25 1
            28   19  26 1
            29   13  27 1
            30   27  28 1
            31   10  29 1
            32   29  30 1
            33   30  31 2
            34   11  32 1
            35   32  33 1
            36   33  34 1
            37   34  35 1
            38   35  36 1
            39   32  36 1
            40   34  37 1 #Up
            41   37  38 1
            42   37  39 1
            43   30  40 1
            44   40  41 2

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