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
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 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
BRITE hierarchy
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 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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