iniparib

Ligand id: 8360

Name: iniparib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 86.23
Molecular weight 291.93
XLogP 1.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-iodo-3-nitrobenzamide
International Nonproprietary Names
INN number INN
9249 iniparib
Synonyms
BSI-201 | SAR240550
Database Links
CAS Registry No. 160003-66-7
PubChem CID 9796068
RCSB PDB Ligand 33E
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Comments
Iniparib was reported as PARP1 inhibitor [2] (or rather its metabolite 4-iodo-3-nitrosobenzamide was reported to inhibit PARP1 activity), however this action has been disputed [1,4].