KEGG   DRUG: AvapritinibHelp
Entry
D11279                      Drug                                   

Name
Avapritinib (USAN/INN)
Formula
C26H27FN10
Exact mass
498.2404
Mol weight
498.558
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Target
KIT (CD117) [HSA:3815] [KO:K05091]
  Pathway
hsa04010  MAPK signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    KIT (CD117)
     D11279  Avapritinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1703793-34-3
PubChem: 384585257
LinkDB All DBs
KCF data Show

ATOM        37
            1   C8x C    21.6300  -13.4400
            2   C8y C    21.6300  -12.0400
            3   C8x C    22.8200  -11.3400
            4   C8x C    24.0800  -12.0400
            5   C8y C    24.0800  -13.4400
            6   C8x C    22.8200  -14.1400
            7   X   F    25.2700  -14.1400
            8   C1d C    20.4400  -11.3400
            9   C8y C    19.2500  -12.0400
            10  C8x C    19.2500  -13.4400
            11  N5x N    17.9900  -14.1400
            12  C8y C    16.8000  -13.4400
            13  N5x N    16.8000  -12.0400
            14  C8x C    17.9900  -11.3400
            15  N1y N    15.6100  -14.1400
            16  C1x C    15.6100  -15.5400
            17  C1x C    14.3500  -16.2400
            18  N1y N    13.1600  -15.5400
            19  C1x C    13.1600  -14.1400
            20  C1x C    14.3500  -13.4400
            21  C8y C    11.9700  -16.2400
            22  N5x N    11.9700  -17.6400
            23  C8x C    10.7100  -18.3400
            24  N5x N     9.5200  -17.6400
            25  N4y N     9.5200  -16.2400
            26  C8y C    10.7100  -15.5400
            27  C8x C     8.4700  -15.3300
            28  C8y C     9.0300  -14.0000
            29  C8x C    10.4300  -14.1400
            30  C8y C     8.3300  -12.8100
            31  C8x C     6.9300  -12.6700
            32  N5x N     6.6500  -11.2700
            33  N4y N     7.8400  -10.5700
            34  C8x C     8.8900  -11.4800
            35  C1a C     7.9800   -9.1700
            36  C1a C    19.4600  -10.3600
            37  N1a N    21.4200  -10.3600
BOND        42
            1     1   2 2
            2     2   3 1
            3     3   4 2
            4     4   5 1
            5     5   6 2
            6     1   6 1
            7     5   7 1
            8     2   8 1
            9     8   9 1
            10    9  10 2
            11   10  11 1
            12   11  12 2
            13   12  13 1
            14   13  14 2
            15    9  14 1
            16   12  15 1
            17   15  16 1
            18   16  17 1
            19   17  18 1
            20   18  19 1
            21   19  20 1
            22   15  20 1
            23   18  21 1
            24   21  22 2
            25   22  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 1
            29   21  26 1
            30   25  27 1
            31   27  28 2
            32   28  29 1
            33   26  29 2
            34   28  30 1
            35   30  31 1
            36   31  32 2
            37   32  33 1
            38   33  34 1
            39   30  34 2
            40   33  35 1
            41    8  36 1 #Down
            42    8  37 1 #Up

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