KEGG   DRUG: Sitravatinib malateHelp
Entry
D11541                      Drug                                   

Name
Sitravatinib malate (USAN)
Formula
C33H29F2N5O4S. C4H6O5
Exact mass
763.2124
Mol weight
763.7637
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
     D11541  Sitravatinib malate (USAN)
   VEGFR family
    VEGFR1 (FLT1)
     D11541  Sitravatinib malate (USAN)
    VEGFR2 (KDR)
     D11541  Sitravatinib malate (USAN)
    VEGFR3 (FLT4)
     D11541  Sitravatinib malate (USAN)
   MET family
    MET
     D11541  Sitravatinib malate (USAN)
   EPH family
    EPHA1
     D11541  Sitravatinib malate (USAN)
    EPHA2
     D11541  Sitravatinib malate (USAN)
    EPHB1
     D11541  Sitravatinib malate (USAN)
    EPHB2
     D11541  Sitravatinib malate (USAN)
    EPHB4
     D11541  Sitravatinib malate (USAN)
   AXL family
    AXL
     D11541  Sitravatinib malate (USAN)
BRITE hierarchy
Other DBs
CAS: 2244864-88-6
PubChem: 384585517
LinkDB All DBs
KCF data Show

ATOM        54
            1   C8x C    21.4647  -19.2346
            2   C8y C    21.4647  -20.6284
            3   C8x C    20.2800  -21.3950
            4   C8y C    19.0256  -20.6284
            5   C8y C    19.0256  -19.2346
            6   C8x C    20.2800  -18.5377
            7   O2a O    17.7711  -18.5377
            8   C8y C    16.5864  -19.2346
            9   C8x C    16.5864  -20.6284
            10  C8x C    15.3321  -21.3950
            11  N5x N    14.1474  -20.6284
            12  C8y C    14.1474  -19.2346
            13  C8y C    15.3321  -18.5377
            14  N1b N    22.6494  -21.3950
            15  C5a C    23.8340  -20.6284
            16  C1z C    25.0188  -21.3950
            17  O5a O    23.8340  -19.2346
            18  C5a C    26.2035  -20.6284
            19  C1x C    25.7156  -22.5797
            20  C1x C    24.3219  -22.5797
            21  N1b N    27.3882  -21.3950
            22  O5a O    26.2035  -19.2346
            23  C8y C    28.5729  -20.6284
            24  C8x C    28.5729  -19.2346
            25  C8x C    29.7575  -18.5377
            26  C8y C    31.0120  -19.2346
            27  C8x C    31.0120  -20.6284
            28  C8x C    29.8272  -21.3950
            29  X   F    32.1270  -18.5377
            30  X   F    17.7711  -21.3253
            31  S2x S    15.0534  -17.2136
            32  C8y C    13.6596  -17.0742
            33  C8x C    13.1020  -18.3287
            34  C8y C    12.9627  -15.8896
            35  C8x C    13.6596  -14.7049
            36  C8x C    12.9627  -13.5202
            37  C8y C    11.5689  -13.5202
            38  C8x C    10.8720  -14.7049
            39  N5x N    11.5689  -15.8896
            40  C1b C    10.8720  -12.3355
            41  N1b N     9.4086  -12.3355
            42  C1b C     8.7117  -11.0810
            43  C1b C     7.2789  -11.0580
            44  O2a O     6.5988   -9.8348
            45  C1a C     5.1804   -9.8815
            46  O6a O    21.5566  -12.9483
            47  C6a C    22.7688  -13.6482
            48  C1c C    23.9641  -12.9579
            49  O6a O    22.7689  -15.0478
            50  C1b C    25.1513  -13.6433
            51  C6a C    26.3423  -12.9554
            52  O6a O    27.5317  -13.6420
            53  O6a O    26.3423  -11.5488
            54  O1a O    23.9642  -11.5488
BOND        58
            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
            51   46  47 1
            52   47  48 1
            53   47  49 2
            54   48  50 1
            55   50  51 1
            56   51  52 1
            57   51  53 2
            58   48  54 1 #Up

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