KEGG   DRUG: D04023Help
Entry
D04023                      Drug                                   

Name
Erlotinib hydrochloride (JAN/USAN);
Tarceva (TN)
Product
Formula
C22H23N3O4. HCl
Exact mass
429.1455
Mol weight
429.8967
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic, Tyrosine kinase inhibitor
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Comment
Indications: Metastatic non-small cell lung cancer with EGFR exon 19 deletions or exon 21 substitution (L858R) mutations; Locally advanced, unresectable or metastatic pancreatic cancer
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], CYP1A2 [HSA:1544], UGT1A1 [HSA:54658]
Interaction
Genomic biomarker: EGFR [HSA:1956]
Drug interaction
Structure map
Antineoplastics - protein kinases inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE03 Erlotinib
      D04023  Erlotinib hydrochloride (JAN/USAN)
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]
 Cytokine receptors
  Receptor tyrosine kinase
   RTK class I (EGF receptor family)
    EGFR tyrosine kinase
     Erlotinib
      D04023  Erlotinib hydrochloride (JAN/USAN)
Cytochrome P450 interactions [BR:br08309]
 CYP substrates
  CYP1A2
   Erlotinib
    D04023  Erlotinib hydrochloride (JAN/USAN)
  CYP3A4
   Erlotinib
    D04023  Erlotinib hydrochloride (JAN/USAN)
Antineoplastics [br08340.html]
 D04023
New drug approvals in the USA [br08319.html]
 New Molecular Entity and New Therapeutic Biological Product Approvals
  D04023
Pharmacogenomic biomarkers in FDA drug labels [br08341.html]
 Companion diagnostics
  D04023
BRITE hierarchy
Other DBs
CAS: 
183319-69-9
PubChem: 
DrugBank: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        30
            1   C8x C    22.3300  -16.9400
            2   N5x N    22.3300  -18.3400
            3   C8y C    23.5900  -19.0400
            4   C8y C    24.7800  -18.3400
            5   C8y C    24.7800  -16.9400
            6   N5x N    23.5900  -16.2400
            7   C8x C    25.9700  -19.0400
            8   C8y C    27.1600  -18.3400
            9   C8y C    27.1600  -16.9400
            10  C8x C    25.9700  -16.2400
            11  N1b N    23.5900  -20.3700
            12  C8y C    24.7800  -21.0700
            13  C8x C    24.7800  -22.4700
            14  C8x C    25.9700  -23.1700
            15  C8y C    27.1600  -22.4700
            16  C8x C    27.1600  -21.0700
            17  C8x C    25.9700  -20.3700
            18  C3b C    28.3753  -23.1651
            19  C3a C    29.5877  -23.8651
            20  O2a O    28.3724  -16.2400
            21  C1b C    29.5849  -16.9400
            22  C1b C    30.7973  -16.2400
            23  O2a O    32.0097  -16.9400
            24  C1a C    33.2222  -16.2400
            25  O2a O    28.3724  -19.0400
            26  C1b C    29.5849  -18.3400
            27  C1b C    30.7973  -19.0400
            28  O2a O    32.0097  -18.3400
            29  C1a C    33.2222  -19.0400
            30  X   Cl   38.7100  -19.5300
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   15  18 1
            21   18  19 3
            22    9  20 1
            23   20  21 1
            24   21  22 1
            25   22  23 1
            26   23  24 1
            27    8  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 1
            31   28  29 1

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