KEGG   DRUG: Gefitinib
Entry
D01977                      Drug                                   

Name
Gefitinib (JP18/USAN/INN);
Iressa (TN)
Product
Formula
C22H24ClFN4O3
Exact mass
446.1521
Mol weight
446.9024
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase 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]
  Network
N10005  First/second-generation tyrosine kinase inhibitor to EGFR mutation
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05223  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
   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)
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
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
ChEMBL: CHEMBL939
DrugBank: DB00317
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
  Generic
Formula
C22H23N3O4. HCl
Exact mass
429.1455
Mol weight
429.8967
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Metabolizing enzyme substrate
 DG01892  CYP1A2 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]
  Network
N10005  First/second-generation tyrosine kinase inhibitor to EGFR mutation
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05212  Pancreatic cancer
hsa05223  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
   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)
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
Other DBs
CAS: 183319-69-9
PubChem: 17398007
ChEBI: 53509
ChEMBL: CHEMBL1079742
DrugBank: DB00530
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
Formula
C24H25ClFN5O3. (C4H4O4)2
Exact mass
717.1849
Mol weight
718.0827
Structure
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Transporter substrate
 DG01665  ABCB1 (P-GP) 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]
  Network
N10005  First/second-generation tyrosine kinase inhibitor to EGFR mutation
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05223  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
   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)
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
Other DBs
PubChem: 124490473
ChEBI: 76003
ChEMBL: CHEMBL2105712
LigandBox: D09733
LinkDB
KCF data

ATOM        50
            1   C8x C    14.1460  -17.3152
            2   N5x N    14.1460  -18.7173
            3   C8y C    15.4079  -19.4184
            4   C8y C    16.5997  -18.7173
            5   C8y C    16.5997  -17.3152
            6   N5x N    15.4079  -16.6142
            7   C8x C    17.7915  -19.4184
            8   C8y C    18.9833  -18.7173
            9   C8y C    18.9833  -17.3152
            10  C8x C    17.7915  -16.6142
            11  N1b N    15.4079  -20.8205
            12  N1b N    20.2452  -19.7689
            13  C5a C    21.4370  -19.0679
            14  C2b C    22.6288  -19.7689
            15  C2b C    23.8907  -19.0679
            16  C8y C    16.5997  -21.5216
            17  C8x C    16.5997  -22.8536
            18  C8y C    17.7915  -23.5547
            19  C8y C    18.9833  -22.8536
            20  C8x C    18.9833  -21.5216
            21  C8x C    17.7915  -20.8205
            22  X   F    20.2452  -23.5547
            23  X   Cl   17.7915  -25.0269
            24  O5a O    21.4370  -17.6657
            25  C1b C    25.0826  -19.7689
            26  N1c N    26.2744  -19.1380
            27  C1a C    27.5363  -19.8390
            28  C1a C    26.2744  -17.7359
            29  O2a O    19.9648  -16.3337
            30  C1y C    21.3669  -16.3337
            31  C1x C    22.1381  -17.4554
            32  C1x C    23.4701  -17.0348
            33  O2x O    23.4701  -15.6327
            34  C1x C    22.1381  -15.2120
            35  C2b C    34.1937  -18.4360
            36  C2b C    35.5959  -18.4360
            37  C6a C    33.4927  -19.6502
            38  O6a O    32.0907  -19.6502
            39  O6a O    34.1841  -20.8475
            40  C6a C    36.2969  -19.6502
            41  O6a O    37.6988  -19.6502
            42  O6a O    35.6055  -20.8475
            43  C2b C    34.1937  -18.4360
            44  C2b C    35.5959  -18.4360
            45  C6a C    36.2969  -19.6502
            46  O6a O    37.6988  -19.6502
            47  O6a O    35.6055  -20.8475
            48  C6a C    33.4927  -19.6502
            49  O6a O    32.0907  -19.6502
            50  O6a O    34.1841  -20.8475
BOND        51
            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    8  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 2
            17   11  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   19  22 1
            25   18  23 1
            26   13  24 2
            27   15  25 1
            28   25  26 1
            29   26  27 1
            30   26  28 1
            31    9  29 1
            32   30  29 1 #Down
            33   30  31 1
            34   31  32 1
            35   32  33 1
            36   33  34 1
            37   30  34 1
            38   35  36 2
            39   35  37 1
            40   37  38 1
            41   37  39 2
            42   36  40 1
            43   40  41 2
            44   40  42 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    30.4500  -22.4000   30.4500  -17.5000
            1    38.6400  -17.5000   38.6400  -22.4000
            1  2
 ORIGINAL  1   35  36  40  41  42  37  38  39
 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
Formula
C24H25ClFN5O2. H2O
Exact mass
487.1786
Mol weight
487.9543
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase 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]
  Network
N10005  First/second-generation tyrosine kinase inhibitor to EGFR mutation
  Pathway
hsa04012  ErbB signaling pathway
hsa04020  Calcium signaling pathway
hsa05205  Proteoglycans in 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
   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)
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
Other DBs
CAS: 1042385-75-0
PubChem: 172232607
ChEMBL: CHEMBL2105719
LinkDB
KCF data

ATOM        34
            1   C8y C    21.0000  -13.9300
            2   C8y C    21.0000  -15.3300
            3   C8x C    22.1900  -16.0300
            4   C8y C    23.3800  -15.3300
            5   C8y C    23.3800  -13.9300
            6   C8x C    22.1900  -13.2300
            7   C8y C    24.6400  -16.0300
            8   N5x N    25.8300  -15.3300
            9   C8x C    25.8300  -13.9300
            10  N5x N    24.6400  -13.2300
            11  N1b N    19.7400  -16.0300
            12  C5a C    19.7400  -17.4300
            13  O2a O    19.7400  -13.2300
            14  C1a C    18.5500  -13.8600
            15  C2b C    18.5500  -18.1300
            16  O5a O    21.0000  -18.1300
            17  C2b C    17.3600  -17.4300
            18  C1b C    16.1700  -18.1300
            19  N1y N    14.9800  -17.4300
            20  C1x C    14.9800  -16.0300
            21  C1x C    13.7900  -15.3300
            22  C1x C    12.5300  -16.0300
            23  C1x C    12.5300  -17.4300
            24  C1x C    13.7900  -18.1300
            25  N1b N    24.6400  -17.4300
            26  C8y C    25.8300  -18.1300
            27  C8x C    25.8300  -19.5300
            28  C8x C    27.0200  -20.2300
            29  C8y C    28.2800  -19.5300
            30  C8y C    28.2800  -18.1300
            31  C8x C    27.0200  -17.4300
            32  X   Cl   29.4700  -17.4300
            33  X   F    29.4700  -20.2300
            34  O0  O    29.4700  -13.7900
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   11  12 1
            14    1  13 1
            15   13  14 1
            16   12  15 1
            17   12  16 2
            18   15  17 2
            19   17  18 1
            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   19  24 1
            27    7  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   26  31 2
            35   30  32 1
            36   29  33 1

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