KEGG   DRUG: BrivanibHelp
Entry
D09589                      Drug                                   

Name
Brivanib (USAN)
Formula
C19H19FN4O3
Exact mass
370.1441
Mol weight
370.3776
Structure
Mol fileKCF fileDB searchJmolKegDraw
Simcomp SIMCOMP
Class
Antineoplastic
 DG01918  Tyrosine kinase inhibitor
  DG01917  Receptor tyrosine kinase inhibitor
Remark
Chemical structure group: DG01373
Efficacy
Antineoplastic, Angiogenesis inhibitor, Receptor tyrosine kinase inhibitor
Target
VEGFR2 (KDR) [HSA:3791] [KO:K05098]
FGFR1 (CD331) [HSA:2260] [KO:K04362]
  Pathway
hsa04010  MAPK signaling pathway
hsa04151  PI3K-Akt signaling pathway
hsa04370  VEGF signaling pathway
Interaction
Drug interaction
Brite
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   FGFR family
    FGFR1 (CD331)
     D09589  Brivanib (USAN)
   VEGFR family
    VEGFR2 (KDR)
     D09589  Brivanib (USAN)
BRITE hierarchy
Other DBs
CAS: 649735-46-6
PubChem: 124490329
ChEMBL: CHEMBL377300
LigandBox: D09589
KCF data Show

ATOM        27
            1   C8y C    20.0343  -24.4505
            2   C8y C    20.0343  -25.8516
            3   C8x C    21.2477  -26.5522
            4   C8x C    22.4612  -25.8516
            5   C8y C    22.4612  -24.4505
            6   C8y C    21.2477  -23.7499
            7   C8x C    18.7017  -24.0175
            8   C8y C    17.8781  -25.1511
            9   N4x N    18.7017  -26.2846
            10  X   F    21.2477  -22.3489
            11  O2a O    23.6934  -23.7389
            12  C8y C    23.6931  -22.3488
            13  C8y C    24.8946  -21.6547
            14  N4y N    24.8943  -20.2535
            15  N5x N    23.6807  -19.5532
            16  C8x C    22.4792  -20.2473
            17  N5x N    22.4795  -21.6485
            18  C8y C    26.2273  -22.0874
            19  C8y C    27.0506  -20.9536
            20  C8x C    26.2268  -19.8201
            21  O2a O    28.4414  -20.9532
            22  C1b C    29.1441  -19.7353
            23  C1c C    30.5430  -19.7349
            24  O1a O    31.2534  -20.9643
            25  C1a C    31.2341  -18.5375
            26  C1a C    26.6520  -23.3946
            27  C1a C    16.4613  -25.1511
BOND        30
            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     1   7 1
            8     7   8 2
            9     8   9 1
            10    2   9 1
            11    6  10 1
            12    5  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 2
            18   16  17 1
            19   12  17 2
            20   13  18 2
            21   18  19 1
            22   19  20 2
            23   14  20 1
            24   19  21 1
            25   21  22 1
            26   22  23 1
            27   23  24 1
            28   23  25 1 #Up
            29   18  26 1
            30    8  27 1

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