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
Remark
Therapeutic category: 4291
ATC code: L01XE47
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
   L01X OTHER ANTINEOPLASTIC AGENTS
    L01XE Protein kinase inhibitors
     L01XE47 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)
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
Other DBs
CAS: 1042385-75-0
PubChem: 172232607
ChEMBL: CHEMBL2105719
LinkDB
KCF data

ATOM        34
            1   C8y C    21.0000  -13.9300
            2   C8y C    21.0000  -15.3300
            3   C8x C    22.1900  -16.0300
            4   C8y C    23.3800  -15.3300
            5   C8y C    23.3800  -13.9300
            6   C8x C    22.1900  -13.2300
            7   C8y C    24.6400  -16.0300
            8   N5x N    25.8300  -15.3300
            9   C8x C    25.8300  -13.9300
            10  N5x N    24.6400  -13.2300
            11  N1b N    19.7400  -16.0300
            12  C5a C    19.7400  -17.4300
            13  O2a O    19.7400  -13.2300
            14  C1a C    18.5500  -13.8600
            15  C2b C    18.5500  -18.1300
            16  O5a O    21.0000  -18.1300
            17  C2b C    17.3600  -17.4300
            18  C1b C    16.1700  -18.1300
            19  N1y N    14.9800  -17.4300
            20  C1x C    14.9800  -16.0300
            21  C1x C    13.7900  -15.3300
            22  C1x C    12.5300  -16.0300
            23  C1x C    12.5300  -17.4300
            24  C1x C    13.7900  -18.1300
            25  N1b N    24.6400  -17.4300
            26  C8y C    25.8300  -18.1300
            27  C8x C    25.8300  -19.5300
            28  C8x C    27.0200  -20.2300
            29  C8y C    28.2800  -19.5300
            30  C8y C    28.2800  -18.1300
            31  C8x C    27.0200  -17.4300
            32  X   Cl   29.4700  -17.4300
            33  X   F    29.4700  -20.2300
            34  O0  O    29.4700  -13.7900
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   11  12 1
            14    1  13 1
            15   13  14 1
            16   12  15 1
            17   12  16 2
            18   15  17 2
            19   17  18 1
            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   19  24 1
            27    7  25 1
            28   25  26 1
            29   26  27 1
            30   27  28 2
            31   28  29 1
            32   29  30 2
            33   30  31 1
            34   26  31 2
            35   30  32 1
            36   29  33 1

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