KEGG   DRUG: SitravatinibHelp
Entry
D11140                      Drug                                   

Name
Sitravatinib (USAN/INN)
Formula
C33H29F2N5O4S
Exact mass
629.1908
Mol weight
629.6763
Structure
Mol fileKCF fileDB search
Simcomp SIMCOMP
Remark
Chemical structure group: DG03045
Efficacy
Antineoplastic, Receptor tyrosine kinase inhibitor
Target
AXL [HSA:558] [KO:K05115]
MET [HSA:4233] [KO:K05099]
EPHA1 [HSA:2041] [KO:K05102]
EPHA2 [HSA:1969] [KO:K05103]
EPHB1 [HSA:2047] [KO:K05110]
EPHB2 [HSA:2048] [KO:K05111]
EPHB4 [HSA:2050] [KO:K05113]
PDGFR [HSA:5156 5159] [KO:K04363 K05089]
VEGFR1 (FLT1) [HSA:2321] [KO:K05096]
VEGFR2 (KDR) [HSA:3791] [KO:K05098]
VEGFR3 (FLT4) [HSA:2324] [KO:K05097]
  Pathway
hsa04010  MAPK signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa05200  Pathways in cancer
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFR
     D11140  Sitravatinib (USAN/INN)
   VEGFR family
    VEGFR1 (FLT1)
     D11140  Sitravatinib (USAN/INN)
    VEGFR2 (KDR)
     D11140  Sitravatinib (USAN/INN)
    VEGFR3 (FLT4)
     D11140  Sitravatinib (USAN/INN)
   MET family
    MET
     D11140  Sitravatinib (USAN/INN)
   EPH family
    EPHA1
     D11140  Sitravatinib (USAN/INN)
    EPHA2
     D11140  Sitravatinib (USAN/INN)
    EPHB1
     D11140  Sitravatinib (USAN/INN)
    EPHB2
     D11140  Sitravatinib (USAN/INN)
    EPHB4
     D11140  Sitravatinib (USAN/INN)
   AXL family
    AXL
     D11140  Sitravatinib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 1123837-84-2
PubChem: 376219064
ChEMBL: CHEMBL3989926
LinkDB All DBs
KCF data Show

ATOM        45
            1   C8x C    18.1300  -13.0900
            2   C8y C    18.1300  -14.4900
            3   C8x C    16.9400  -15.2600
            4   C8y C    15.6100  -14.4900
            5   C8y C    15.6100  -13.0900
            6   C8x C    16.9400  -12.3900
            7   O2a O    14.3500  -12.3900
            8   C8y C    13.1600  -13.0900
            9   C8x C    13.1600  -14.4900
            10  C8x C    11.9000  -15.2600
            11  N5x N    10.7100  -14.4900
            12  C8y C    10.7100  -13.0900
            13  C8y C    11.9000  -12.3900
            14  N1b N    19.3200  -15.2600
            15  C5a C    20.5100  -14.4900
            16  C1z C    21.7000  -15.2600
            17  O5a O    20.5100  -13.0900
            18  C5a C    22.8900  -14.4900
            19  C1x C    22.4000  -16.4500
            20  C1x C    21.0000  -16.4500
            21  N1b N    24.0800  -15.2600
            22  O5a O    22.8900  -13.0900
            23  C8y C    25.2700  -14.4900
            24  C8x C    25.2700  -13.0900
            25  C8x C    26.4600  -12.3900
            26  C8y C    27.7200  -13.0900
            27  C8x C    27.7200  -14.4900
            28  C8x C    26.5300  -15.2600
            29  X   F    28.9100  -12.3900
            30  X   F    14.3971  -15.1893
            31  S2x S    11.6020  -11.0419
            32  C8y C    10.2278  -10.9088
            33  C8x C     9.6765  -12.1745
            34  C8y C     9.5209   -9.7071
            35  C8x C    10.2010   -8.5068
            36  C8x C     9.4913   -7.3000
            37  C8y C     8.0913   -7.3113
            38  C8x C     7.4112   -8.5116
            39  N5x N     8.1209   -9.7183
            40  C1b C     7.3753   -6.0945
            41  N1b N     5.9501   -6.1064
            42  C1b C     5.2327   -4.8877
            43  C1b C     3.8500   -4.8995
            44  O2a O     3.1399   -3.6934
            45  C1a C     1.7500   -3.7054
BOND        50
            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 2
            10    9  10 1
            11   10  11 2
            12   11  12 1
            13   12  13 2
            14    8  13 1
            15    2  14 1
            16   14  15 1
            17   15  16 1
            18   15  17 2
            19   16  18 1
            20   19  20 1
            21   20  16 1
            22   16  19 1
            23   18  21 1
            24   18  22 2
            25   21  23 1
            26   23  24 2
            27   24  25 1
            28   25  26 2
            29   26  27 1
            30   27  28 2
            31   23  28 1
            32   26  29 1
            33    4  30 1
            34   13  31 1
            35   31  32 1
            36   32  33 2
            37   12  33 1
            38   32  34 1
            39   34  35 2
            40   35  36 1
            41   36  37 2
            42   37  38 1
            43   38  39 2
            44   34  39 1
            45   37  40 1
            46   40  41 1
            47   41  42 1
            48   42  43 1
            49   43  44 1
            50   44  45 1

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