KEGG   DRUG: VeliparibHelp
Entry
D09692                      Drug                                   

Name
Veliparib (JAN/USAN/INN)
Formula
C13H16N4O
Exact mass
244.1324
Mol weight
244.2923
Structure
Mol fileKCF fileDB search
Efficacy
Antineoplastic (enhancer), PARP inhibitor
Target
PARP [HSA:142 10038 10039 143] [KO:K10798]
  Pathway
hsa04210  Apoptosis
hsa04217  Necroptosis
Other map
map04212  Longevity regulating pathway - worm
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases (EC2)
   Pentosyltransferases
    PARP
     D09692  Veliparib (JAN/USAN/INN)
BRITE hierarchy
Other DBs
CAS: 912444-00-9
PubChem: 124490432
ChEBI: 62880
ChEMBL: CHEMBL506871
PDB-CCD: 78P[PDBj]
LigandBox: D09692
LinkDB All DBs
KCF data Show

ATOM        18
            1   C8x C    19.6153  -26.2758
            2   C8x C    19.6153  -27.6772
            3   C8x C    20.8290  -28.3780
            4   C8y C    22.0428  -27.6772
            5   C8y C    22.0428  -26.2758
            6   C8y C    20.8290  -25.5750
            7   N4x N    23.3757  -28.1103
            8   C8y C    24.1994  -26.9765
            9   N5x N    23.3757  -25.8427
            10  C1z C    25.5716  -26.9765
            11  N1x N    26.3953  -28.1103
            12  C1x C    27.7282  -27.6772
            13  C1x C    27.7282  -26.2758
            14  C1x C    26.3953  -25.8427
            15  C5a C    20.8290  -24.1738
            16  O5a O    19.5985  -23.4631
            17  N1a N    22.0258  -23.4826
            18  C1a C    24.8708  -25.7628
BOND        20
            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     4   7 1
            8     7   8 1
            9     8   9 2
            10    5   9 1
            11   10   8 1 #Up
            12   10  11 1
            13   11  12 1
            14   12  13 1
            15   13  14 1
            16   10  14 1
            17    6  15 1
            18   15  16 2
            19   15  17 1
            20   10  18 1 #Down

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