KEGG   DRUG: Motesanib diphosphateHelp
Entry
D08947                      Drug                                   

Name
Motesanib diphosphate (USAN);
Motesanib phosphate (JAN)
Formula
C22H23N5O. 2H3PO4
Exact mass
569.1441
Mol weight
569.4413
Structure
Mol fileKCF fileDB search
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
Chemical structure group: DG01262
Efficacy
Antineoplastic, Angiogenesis inhibitor, Receptor tyrosine kinase inhibitor
Target
PDGFRA [HSA:5156] [KO:K04363]
PDGFRB [HSA:5159] [KO:K05089]
RET [HSA:5979] [KO:K05126]
VEGFR1 (FLT1) [HSA:2321] [KO:K05096]
VEGFR2 (KDR) [HSA:3791] [KO:K05098]
VEGFR3 (FLT4) [HSA:2324] [KO:K05097]
KIT (CD117) [HSA:3815] [KO:K05091]
  Pathway
hsa04010  MAPK signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa04370  VEGF signaling pathway
hsa05200  Pathways in cancer
Interaction
Drug interaction
Structure map
map07045  Antineoplastics - protein kinases inhibitors
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   PDGFR family
    PDGFRA
     D08947  Motesanib diphosphate (USAN)
    PDGFRB
     D08947  Motesanib diphosphate (USAN)
    KIT (CD117)
     D08947  Motesanib diphosphate (USAN)
   VEGFR family
    VEGFR1 (FLT1)
     D08947  Motesanib diphosphate (USAN)
    VEGFR2 (KDR)
     D08947  Motesanib diphosphate (USAN)
    VEGFR3 (FLT4)
     D08947  Motesanib diphosphate (USAN)
   RET family
    RET
     D08947  Motesanib diphosphate (USAN)
BRITE hierarchy
Other DBs
CAS: 857876-30-3
PubChem: 96025630
ChEMBL: CHEMBL2107357
LigandBox: D08947
KCF data Show

ATOM        38
            1   C8y C    21.1400  -14.8400
            2   C5a C    22.2600  -15.5400
            3   C8x C    21.1400  -13.4400
            4   C8y C    19.8800  -15.5400
            5   N1b N    23.5200  -14.9100
            6   O5a O    22.2600  -16.9400
            7   C8x C    19.9500  -12.7400
            8   N5x N    18.6900  -14.7700
            9   C8y C    24.7100  -15.6100
            10  C8x C    18.6900  -13.3700
            11  C8x C    25.9000  -14.9100
            12  C8x C    24.7100  -17.0100
            13  C8x C    27.1600  -15.6100
            14  C8y C    25.9000  -17.7100
            15  C8y C    27.1600  -17.0100
            16  N1x N    26.1764  -19.1247
            17  C1x C    27.6072  -19.2990
            18  C1z C    28.2151  -17.9920
            19  C1a C    29.5846  -17.7245
            20  C1a C    29.0752  -19.0907
            21  N1b N    19.8502  -16.9397
            22  C1b C    18.6461  -17.6014
            23  C8y C    17.4155  -16.8564
            24  C8x C    17.4446  -15.4701
            25  C8x C    16.2471  -14.7448
            26  N5x N    15.0202  -15.4193
            27  C8x C    15.0612  -16.8056
            28  C8x C    16.1887  -17.5308
            29  P1b P    34.7900  -16.0300
            30  O1c O    34.7900  -14.6300
            31  O1c O    33.3900  -16.0300
            32  O1c O    34.7900  -17.4300
            33  O1c O    36.1900  -16.0300
            34  P1b P    34.7900  -16.0300
            35  O1c O    34.7900  -14.6300
            36  O1c O    33.3900  -16.0300
            37  O1c O    34.7900  -17.4300
            38  O1c O    36.1900  -16.0300
BOND        39
            1     1   4 1
            2     2   5 1
            3     2   6 2
            4     3   7 1
            5     4   8 2
            6     5   9 1
            7     7  10 2
            8     9  11 2
            9     9  12 1
            10   11  13 1
            11   12  14 2
            12   13  15 2
            13    8  10 1
            14   14  15 1
            15    1   2 1
            16    1   3 2
            17   14  16 1
            18   16  17 1
            19   17  18 1
            20   15  18 1
            21   18  19 1
            22   18  20 1
            23    4  21 1
            24   21  22 1
            25   22  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   29  30 2
            33   29  31 1
            34   29  32 1
            35   29  33 1
            36   34  35 2
            37   34  36 1
            38   34  37 1
            39   34  38 1
BRACKET     1    32.0600  -18.3400   32.0600  -13.5100
            1    37.6600  -13.5100   37.6600  -18.3400
            1  2
 ORIGINAL  1   29  30  31  32  33
 REPEAT    1   34  35  36  37  38

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