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
Treatment of proliferative neoplastic and malignant diseases, including multiple forms of solid tumors and psoriasis [inhibitor of epidermal growth factor receptor (EGFR) tyrosine kinase activity] [DS:H00014 H00019]
Remark
Therapeutic category: 
ATC code: 
Drug group: 
Target
EGFR tyrosine kinase inhibitor [HSA:1956] [KO:K04361]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa04020  Calcium signaling pathway
hsa04060  Cytokine-cytokine receptor interaction
hsa05200  Pathways in cancer
hsa05223  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)
Antineoplastics [BR:br08308]
 Molecularly targeted agents
  Receptor tyrosine kinase inhibitor
   Erlotinib
    D04023  Erlotinib hydrochloride (JAN/USAN)
Cytochrome P450 interactions [BR:br08309]
 Substrates
  CYP1A2
   Erlotinib
    D04023  Erlotinib hydrochloride (JAN/USAN)
  CYP3A4
   Erlotinib
    D04023  Erlotinib hydrochloride (JAN/USAN)
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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