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KEGG   DRUG: Amuvatinib hydrochloride
Entry
D09865                      Drug                                   
Name
Amuvatinib hydrochloride (USAN)
Formula
C23H21N5O3S. HCl
Exact mass
483.1132
Mol weight
483.97
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
    D09865  Amuvatinib hydrochloride
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    KIT (CD117)
     D09865  Amuvatinib hydrochloride (USAN)
   MET family
    MET
     D09865  Amuvatinib hydrochloride (USAN)
   AXL family
    AXL
     D09865  Amuvatinib hydrochloride (USAN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01916  Amuvatinib
Other DBs
CAS: 1055986-67-8
PubChem: 135626622
LigandBox: D09865
LinkDB
KCF data

ATOM        33
            1   C8y C    21.6300  -29.9600
            2   N5x N    21.6300  -31.3600
            3   C8x C    22.8200  -32.0600
            4   N5x N    24.0800  -31.3600
            5   C8y C    24.0800  -29.9600
            6   C8y C    22.8200  -29.2600
            7   N1y N    25.2700  -29.2600
            8   C1x C    26.4600  -29.9600
            9   C1x C    27.7200  -29.2600
            10  N1y N    27.7200  -27.8600
            11  C1x C    26.5300  -27.1600
            12  C1x C    25.2700  -27.8600
            13  C2c C    28.9100  -27.1600
            14  N1b N    30.1700  -27.8600
            15  C1b C    31.2900  -27.1600
            16  C8y C    32.4800  -27.8600
            17  C8x C    32.4800  -29.2600
            18  C8x C    33.7400  -29.9600
            19  C8y C    34.9300  -29.2600
            20  C8y C    34.9300  -27.8600
            21  C8x C    33.7400  -27.1600
            22  O2x O    36.2600  -29.6800
            23  C1x C    37.1000  -28.5600
            24  O2x O    36.2600  -27.4400
            25  O2x O    22.5400  -27.8600
            26  C8y C    21.1400  -27.7200
            27  C8y C    20.5800  -29.0500
            28  C8x C    20.3700  -26.6000
            29  C8x C    18.9700  -26.7400
            30  C8x C    18.4100  -28.0700
            31  C8x C    19.1800  -29.1900
            32  S0  S    28.9100  -25.7600
            33  X   Cl   30.1000  -31.8500
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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