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
   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]
  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)
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
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
  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
   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]
  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)
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
Formula
C24H25ClFN5O3. (C4H4O4)2
Exact mass
717.1849
Mol weight
718.0827
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]
  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)
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

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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
   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]
  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)
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

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