KEGG   DRUG: Dacomitinib
Entry
D10514                      Drug                                   
Name
Dacomitinib (USAN);
Dacomitinib hydrate (JAN);
Vizimpro (TN)
Product
Formula
C24H25ClFN5O2. H2O
Exact mass
487.1786
Mol weight
487.9543
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
   DG03162  EGFR inhibitor
Metabolizing enzyme inhibitor
 DG01645  CYP2D6 inhibitor
Remark
Therapeutic category: 4291
ATC code: L01EB07
Chemical structure group: DG01793
Product (DG01793): D10514<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]
ERBB2 (HER2, CD340) [HSA:2064] [KO:K05083]
ERBB4 (HER4) [HSA:2066] [KO:K05085]
  Network
N10005  First/second-generation tyrosine kinase inhibitor to EGFR mutation
  Pathway
hsa04012  ErbB signaling pathway
hsa04020  Calcium signaling pathway
hsa05205  Proteoglycans in cancer
Interaction
CYP inhibition: CYP2D6 [HSA:1565]
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
     L01EB07 Dacomitinib
      D10514  Dacomitinib (USAN) <JP/US>
USP drug classification [BR:br08302]
 Antineoplastics
  Molecular Target Inhibitors
   Dacomitinib
    D10514  Dacomitinib (USAN)
Therapeutic category of drugs in Japan [BR:br08301]
 4  Agents affecting cellular function
  42  Antineoplastics
   429  Miscellaneous
    4291  Other Antitumors
     D10514  Dacomitinib (USAN); Dacomitinib hydrate (JAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG01793  Dacomitinib
      D10514  Dacomitinib
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG01793  Dacomitinib
    D10514  Dacomitinib
Drug classes [BR:br08332]
 Antineoplastic
  DG03162  EGFR inhibitor
   D10514  Dacomitinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   EGFR family
    EGFR* [HSA_VAR:1956v2]
     D10514  Dacomitinib (USAN) <JP/US>
    ERBB2 (HER2, CD340)
     D10514  Dacomitinib (USAN) <JP/US>
    ERBB4 (HER4)
     D10514  Dacomitinib (USAN) <JP/US>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  D10514
New drug approvals in Europe [br08329.html]
 European public assessment reports (EPAR) authorised medicine
  D10514
New drug approvals in Japan [br08318.html]
 Drugs with new active ingredients
  D10514
New drug approvals in the USA, Europe and Japan [br08328.html]
 Approval dates by FDA, EMA and PMDA
  D10514
Drug metabolizing enzymes and transporters [br08309.html]
 Drug metabolizing enzymes
  D10514
Pharmacogenomic biomarkers [br08341.html]
 Somatic variations in targeted cancer therapies
  D10514
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG03162  EGFR inhibitor
     DG01793  Dacomitinib
 Metabolizing enzyme inhibitor
  DG01645  CYP2D6 inhibitor
   DG01793  Dacomitinib
Other DBs
CAS: 1042385-75-0
PubChem: 172232607
LinkDB
KCF data

ATOM        34
            1   C8y C    16.1544  -13.1441
            2   C8y C    16.1544  -14.5430
            3   C8x C    14.9654  -15.2424
            4   C8y C    13.7763  -14.5430
            5   C8y C    13.7763  -13.1441
            6   C8x C    14.9654  -12.4447
            7   C8y C    12.5174  -15.2424
            8   N5x N    11.3283  -14.5430
            9   C8x C    11.3283  -13.1441
            10  N5x N    12.5174  -12.4447
            11  N1b N    17.4134  -15.2424
            12  O2a O    17.4134  -12.4447
            13  N1b N    12.5174  -16.6413
            14  C1a C    17.4134  -11.0458
            15  C5a C    18.6024  -14.5430
            16  C2b C    19.8614  -15.2424
            17  O5a O    18.6024  -13.1441
            18  C2b C    20.9805  -14.5430
            19  C1b C    22.2395  -15.2424
            20  N1y N    23.4285  -14.4730
            21  C1x C    24.6175  -15.1725
            22  C1x C    25.8065  -14.4730
            23  C1x C    25.8066  -13.0742
            24  C1x C    24.6175  -12.3747
            25  C1x C    23.4285  -13.0742
            26  C8y C    13.7064  -17.3407
            27  C8x C    13.7064  -18.7396
            28  C8y C    14.9654  -19.4390
            29  C8y C    16.1544  -18.7396
            30  C8x C    16.1544  -17.3407
            31  C8x C    14.9654  -16.6413
            32  X   Cl   14.9654  -20.8379
            33  X   F    17.3434  -19.4390
            34  O0  O    23.9400  -19.2500
BOND        36
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     4   7 1
            8     7   8 2
            9     8   9 1
            10    9  10 2
            11    5  10 1
            12    2  11 1
            13    1  12 1
            14    7  13 1
            15   12  14 1
            16   11  15 1
            17   15  16 1
            18   15  17 2
            19   16  18 2
            20   18  19 1
            21   19  20 1
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   20  25 1
            28   13  26 1
            29   26  27 2
            30   27  28 1
            31   28  29 2
            32   29  30 1
            33   30  31 2
            34   26  31 1
            35   28  32 1
            36   29  33 1

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