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 searchJmolKegDraw
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Cyp substrate
 DG01644  CYP2D6 substrate
 DG01633  CYP3A4 substrate
Cyp inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Therapeutic category: 
ATC code: 
Activity
Antineoplastic, Tyrosine kinase inhibitor
Comment
Indications: Metastatic non-small cell lung cancer with EGFR exon 19 deletions or exon 21 substitution (L858R) mutations
Target
epidermal growth factor receptor (EGFR) tyrosine kinase [HSA:1956] [KO:K04361]
  Pathway
MAPK signaling pathway
ErbB signaling pathway
Calcium signaling pathway
Cytokine-cytokine receptor interaction
Pathways in cancer
Non-small cell lung cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP2D6 [HSA:1565]
Interaction
Genomic biomarker: EGFR [HSA:1956]
CYP inhibition: CYP2D6 [HSA:1565]
Transporter inhibition: ABCG2 [HSA:9429]
Drug interaction
Structure map
Antineoplastics - protein kinases inhibitors
Other map
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)
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]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class I (EGF receptor family)
    EGFR tyrosine kinase
     Gefitinib
      D01977  Gefitinib (JAN/USAN/INN)
Cytochrome P450 interactions [BR:br08309]
 CYP inhbitors
  CYP2D6
   Gefitinib
    D01977  Gefitinib (JAN/USAN/INN)
 CYP substrates
  CYP3A4
   Gefitinib
    D01977  Gefitinib (JAN/USAN/INN)
 Transporter inhibitors
  ABCG2
   Gefitinib
    D01977  Gefitinib (JAN/USAN/INN)
Antineoplastics [br08340.html]
 D01977
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D01977
Orphan drugs in the USA [br08355.html]
 Orphan drugs in the USA
  D01977
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Companion diagnostics
  D01977
BRITE hierarchy
Other DBs
CAS: 
184475-35-2
PubChem: 
DrugBank: 
PDB-CCD: 
LigandBox: 
NIKKAJI: 
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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