KEGG   DRUG: Erlotinib hydrochloride
Entry
D04023                      Drug                                   
Name
Erlotinib hydrochloride (JAN/USAN);
Tarceva (TN)
Product
TARCEVA (Genentech)
  Generic
ERLOTINIB (Areva Pharmaceuticals), ERLOTINIB (Armas Pharmaceuticals), ERLOTINIB (Armas Pharmaceuticals), ERLOTINIB (Armas Pharmaceuticals), ERLOTINIB (Aurobindo Pharma Limited), ERLOTINIB (Breckenridge Pharmaceutical), ERLOTINIB (Cadila Healthcare Limited), ERLOTINIB (Sun Pharmaceutical Industries), ERLOTINIB (Teva Pharmaceuticals USA), ERLOTINIB (Zydus Pharmaceuticals USA), ERLOTINIB HYDROCHLORIDE (Alembic Pharmaceuticals Limited), ERLOTINIB HYDROCHLORIDE (Alembic Pharmaceuticals), ERLOTINIB HYDROCHLORIDE (MSN LABORATORIES PRIVATE LIMITED), ERLOTINIB HYDROCHLORIDE (Novadoz Pharmaceuticals LLC)
Formula
C22H23N3O4. HCl
Exact mass
429.1455
Mol weight
429.8967
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03162  EGFR inhibitor
Metabolizing enzyme substrate
 DG01892  CYP1A2 substrate
 DG01633  CYP3A/CYP3A4 substrate
  DG02913  CYP3A4 substrate
Remark
Therapeutic category: 4291
ATC code: L01EB02
Chemical structure group: DG00711
Product (DG00711): D04023<JP/US>
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
  Disease
Non-small cell lung cancer (EGFR mutation positive) [DS:H00014]
Pancreatic cancer [DS:H00019]
Target
EGFR* [HSA_VAR:1956v2] [HSA:1956] [KO:K04361]
  Pathway
hsa04010  MAPK signaling pathway
hsa04012  ErbB signaling pathway
hsa05200  Pathways in cancer
hsa05212  Pancreatic cancer
hsa05223  Non-small cell lung cancer
Metabolism
Enzyme: CYP3A4 [HSA:1576], CYP1A2 [HSA:1544]
Interaction
Structure map
map07045  Antineoplastics - protein kinase inhibitors
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 L ANTINEOPLASTIC AND IMMUNOMODULATING AGENTS
  L01 ANTINEOPLASTIC AGENTS
   L01E PROTEIN KINASE INHIBITORS
    L01EB Epidermal growth factor receptor (EGFR) tyrosine kinase inhibitors
     L01EB02 Erlotinib
      D04023  Erlotinib hydrochloride (JAN/USAN) <JP/US>
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)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG00711  Erlotinib
      D04023  Erlotinib hydrochloride
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00711  Erlotinib
    D04023  Erlotinib hydrochloride
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00711  Erlotinib
     D04023  Erlotinib hydrochloride
Drug classes [BR:br08332]
 Antineoplastic
  DG03162  EGFR inhibitor
   D04023  Erlotinib hydrochloride
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D04023  Erlotinib hydrochloride (JAN/USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D04023
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D04023
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D04023
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D04023
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D04023
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D04023
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG00711  Erlotinib
 Metabolizing enzyme substrate
  DG01892  CYP1A2 substrate
   DG00711  Erlotinib
  DG01633  CYP3A/CYP3A4 substrate
   DG02913  CYP3A4 substrate
    DG00711  Erlotinib
Other DBs
CAS: 183319-69-9
PubChem: 17398007
ChEBI: 53509
LigandBox: D04023
KCF data

ATOM        30
            1   C8x C    10.3936  -13.0286
            2   N5x N    10.3936  -14.4351
            3   C8y C    11.6594  -15.1383
            4   C8y C    12.8550  -14.4351
            5   C8y C    12.8550  -13.0286
            6   N5x N    11.6594  -12.3253
            7   C8x C    14.0505  -15.1383
            8   C8y C    15.2460  -14.4351
            9   C8y C    15.2460  -13.0286
            10  C8x C    14.0505  -12.3253
            11  N1b N    11.6594  -16.4745
            12  C8y C    12.8550  -17.1777
            13  C8x C    12.8550  -18.5842
            14  C8y C    14.0505  -19.2875
            15  C8x C    15.2460  -18.5842
            16  C8x C    15.2460  -17.1777
            17  C8x C    14.0505  -16.4745
            18  O2a O    16.4640  -12.3253
            19  C1b C    17.6821  -13.0286
            20  C1b C    18.9002  -12.3253
            21  O2a O    20.1182  -13.0286
            22  C1a C    21.3363  -12.3253
            23  O2a O    16.4640  -15.1383
            24  C1b C    17.6821  -14.4351
            25  C1b C    18.9002  -15.1383
            26  O2a O    20.1182  -14.4351
            27  C1a C    21.3363  -15.1383
            28  C3b C    14.0500  -20.7199
            29  C3a C    14.0500  -22.1199
            30  X   Cl   26.8496  -15.6306
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    9  18 1
            21   18  19 1
            22   19  20 1
            23   20  21 1
            24   21  22 1
            25    8  23 1
            26   23  24 1
            27   24  25 1
            28   25  26 1
            29   26  27 1
            30   14  28 1
            31   28  29 3

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