KEGG   DRUG: Amuvatinib
Entry
D09864                      Drug                                   
Name
Amuvatinib (USAN/INN)
Formula
C23H21N5O3S
Exact mass
447.1365
Mol weight
447.5095
Structure
Simcomp
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
Remark
Chemical structure group: DG01916
Efficacy
Antineoplastic, Tyrosine kinase inhibitor
Target
KIT (CD117) [HSA:3815] [KO:K05091]
AXL [HSA:558] [KO:K05115]
MET [HSA:4233] [KO:K05099]
  Pathway
hsa05200  Pathways in cancer
Interaction
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01916  Amuvatinib
    D09864  Amuvatinib
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    KIT (CD117)
     D09864  Amuvatinib (USAN/INN)
   MET family
    MET
     D09864  Amuvatinib (USAN/INN)
   AXL family
    AXL
     D09864  Amuvatinib (USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01916  Amuvatinib
Other DBs
CAS: 850879-09-3
PubChem: 135626621
LigandBox: D09864
LinkDB
KCF data

ATOM        32
            1   C8y C    13.8600  -23.1000
            2   N5x N    13.8600  -24.5000
            3   C8x C    15.0724  -25.2000
            4   N5x N    16.2849  -24.5000
            5   C8y C    16.2849  -23.1000
            6   C8y C    15.0724  -22.4000
            7   N1y N    17.5160  -22.3890
            8   C1x C    18.7212  -23.0847
            9   C1x C    19.9335  -22.3846
            10  N1y N    19.9335  -20.9846
            11  C1x C    18.7283  -20.2889
            12  C1x C    17.5159  -20.9890
            13  C2c C    21.1514  -20.2812
            14  N1b N    22.3634  -20.9807
            15  C1b C    23.5423  -20.2998
            16  C8y C    24.7381  -20.9902
            17  C8x C    24.7383  -22.3997
            18  C8x C    25.9508  -23.0995
            19  C8y C    27.1631  -22.3993
            20  C8y C    27.1629  -20.9898
            21  C8x C    25.9504  -20.2900
            22  O2x O    28.5038  -22.8347
            23  C1x C    29.3321  -21.6942
            24  O2x O    28.5034  -20.5540
            25  O2x O    14.7814  -21.0306
            26  C8y C    13.3890  -20.8842
            27  C8y C    12.8196  -22.1632
            28  C8x C    12.5661  -19.7516
            29  C8x C    11.1738  -19.8980
            30  C8x C    10.6044  -21.1769
            31  C8x C    11.4273  -22.3096
            32  S0  S    21.1511  -18.9000
BOND        37
            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     7   8 1
            9     8   9 1
            10    9  10 1
            11   10  11 1
            12   11  12 1
            13    7  12 1
            14   10  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18   16  17 2
            19   17  18 1
            20   18  19 2
            21   19  20 1
            22   20  21 2
            23   16  21 1
            24   19  22 1
            25   22  23 1
            26   23  24 1
            27   20  24 1
            28    6  25 1
            29   25  26 1
            30   26  27 2
            31    1  27 1
            32   26  28 1
            33   28  29 2
            34   29  30 1
            35   30  31 2
            36   27  31 1
            37   13  32 2

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