KEGG   DRUG: GefitinibHelp
Entry
D01977                      Drug                                   

Name
Gefitinib (JAN/USAN/INN);
Iressa (TN)
Product
Formula
C22H24ClFN4O3
Exact mass
446.1521
Mol weight
446.9024
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Cyp substrate
 DG01633  CYP3A substrate
Remark
Therapeutic category: 4291
ATC code: L01XE02
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
Drug interaction
Structure map
map07045  Antineoplastics - protein kinases 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
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE02 Gefitinib
      D01977  Gefitinib (JAN/USAN/INN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Gefitinib
    D01977  Gefitinib (JAN/USAN/INN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D01977  Gefitinib (JAN/USAN/INN)
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR [HSA_VAR:1956v2]
     D01977  Gefitinib (JAN/USAN/INN) <JP/US>
Antineoplastics [br08340.html]
 D01977
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  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 in FDA drug labels [br08341.html]
 Companion diagnostics
  D01977
BRITE hierarchy
Other DBs
CAS: 184475-35-2
PubChem: 7849039
ChEMBL: CHEMBL939
DrugBank: DB00317
PDB-CCD: IRE[PDBj]
LigandBox: D01977
NIKKAJI: J1.437.124I
LinkDB All DBs
KCF data Show

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

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