KEGG   DRUG: Brivanib alaninate
Entry
D08878                      Drug                                   
Name
Brivanib alaninate (JAN/USAN/INN)
Formula
C22H24FN5O4
Exact mass
441.1812
Mol weight
441.45
Structure
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
Brite
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG01373  Brivanib
     D08878  Brivanib alaninate
Target-based classification of drugs [BR:br08310]
 Protein kinases
  Receptor tyrosine kinases (RTK)
   FGFR family
    FGFR1 (CD331)
     D08878  Brivanib alaninate (JAN/USAN/INN)
   VEGFR family
    VEGFR2 (KDR)
     D08878  Brivanib alaninate (JAN/USAN/INN)
Drug groups [BR:br08330]
 Antineoplastic
  DG01918  Tyrosine kinase inhibitor
   DG01917  Receptor tyrosine kinase inhibitor
    DG01373  Brivanib
Other DBs
CAS: 649735-63-7
PubChem: 96025561
ChEBI: 167656
LigandBox: D08878
LinkDB
KCF data

ATOM        32
            1   C8y C    21.5600  -14.1400
            2   N4y N    21.5600  -12.7400
            3   C8y C    20.3000  -14.8400
            4   N5x N    20.3000  -12.0400
            5   N5x N    19.1100  -14.1400
            6   C8x C    19.1100  -12.7400
            7   O2a O    20.3000  -16.2400
            8   C8y C    19.0400  -16.9400
            9   C8y C    17.8500  -16.1700
            10  C8y C    16.5900  -16.8700
            11  C8y C    16.5900  -18.2700
            12  C8x C    17.7800  -19.0400
            13  C8x C    19.0400  -18.3400
            14  C8x C    15.2600  -16.4500
            15  C8y C    14.4200  -17.5700
            16  N4x N    15.2600  -18.6900
            17  C1a C    13.0200  -17.5700
            18  X   F    17.8500  -14.7700
            19  C8y C    22.8900  -14.5600
            20  C8y C    23.7300  -13.4400
            21  C8x C    22.8900  -12.3200
            22  O2a O    25.1300  -13.4400
            23  C1a C    23.3100  -15.8900
            24  C1b C    25.8300  -12.2500
            25  C1c C    27.2300  -12.2500
            26  O7a O    27.9300  -13.4400
            27  C7a C    29.3300  -13.4400
            28  C1c C    30.0300  -12.2500
            29  N1a N    29.3300  -10.9900
            30  C1a C    27.9300  -11.0600
            31  C1a C    31.4300  -12.2500
            32  O6a O    30.0300  -14.6300
BOND        35
            1     1   2 1
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 2
            6     5   6 1
            7     3   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   10  14 1
            16   14  15 2
            17   15  16 1
            18   11  16 1
            19   15  17 1
            20    9  18 1
            21    1  19 2
            22   19  20 1
            23   20  21 2
            24    2  21 1
            25   20  22 1
            26   19  23 1
            27   22  24 1
            28   24  25 1
            29   25  26 1
            30   26  27 1
            31   27  28 1
            32   28  29 1
            33   25  30 1 #Up
            34   28  31 1 #Up
            35   27  32 2

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