KEGG   DRUG: D09913Help
Entry
D09913                      Drug                                   

Name
Iniparib (USAN/INN)
Formula
C7H5IN2O3
Exact mass
291.9345
Mol weight
292.0307
Structure
Mol fileKCF fileDB searchJmolKegDraw
Activity
Antineoplastic
Target
poly (ADP-ribose) polymerase 1 (PARP1) inhibitor [HSA:142] [KO:K10798]
  Pathway
hsa03410  Base excision repair
hsa04064  NF-kappa B signaling pathway  
 
Brite
Target-based classification of drugs [BR:br08310]
 Enzymes
  Transferases
   poly (ADP-ribose) polymerase 1 (PARP1)
    Iniparib
     D09913  Iniparib (USAN/INN)
BRITE hierarchy
Other DBs
CAS: 
160003-66-7
PubChem: 
LigandBox: 
LinkDB All DBs
KCF data Show

ATOM        13
            1   C8y C    10.3600  -19.5300
            2   C8x C    10.3600  -20.9300
            3   C8x C    11.5724  -21.6300
            4   C8y C    12.7849  -20.9300
            5   C8x C    12.7849  -19.5300
            6   C8y C    11.5724  -18.8300
            7   N2b N    11.5724  -17.4302 #+
            8   O3a O    10.3432  -16.7203
            9   O3a O    12.9780  -16.3898 #-
            10  X   I     9.1476  -18.8300
            11  C5a C    14.0160  -21.6410
            12  O5a O    15.2212  -20.9453
            13  N1a N    14.0157  -23.0299
BOND        13
            1     1   2 1
            2     2   3 2
            3     3   4 1
            4     4   5 2
            5     5   6 1
            6     1   6 2
            7     6   7 1
            8     7   8 2
            9     7   9 1
            10    1  10 1
            11    4  11 1
            12   11  12 2
            13   11  13 1

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