KEGG   DRUG: DacomitinibHelp
Entry
D10514                      Drug                                   

Name
Dacomitinib (USAN);
Dacomitinib hydrate (JAN);
Vizimpro (TN)
Formula
C24H25ClFN5O2. H2O
Exact mass
487.1786
Mol weight
487.9543
Structure
Mol fileKCF fileDB search
Simcomp 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): D09883<US> D10514<JP>
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]
Drug interaction
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>
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>
    ERBB2 (HER2, CD340)
     D10514  Dacomitinib (USAN) <JP>
    ERBB4 (HER4)
     D10514  Dacomitinib (USAN) <JP>
New drug approvals in the USA [br08319.html]
 New molecular entities and new therapeutic biological products
  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
BRITE hierarchy
Other DBs
CAS: 1042385-75-0
PubChem: 172232607
ChEMBL: CHEMBL2105719
LinkDB All DBs
KCF data Show

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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