niraparib

Ligand id: 8275

Name: niraparib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 72.94
Molecular weight 320.16
XLogP 2.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name
2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide
International Nonproprietary Names
INN number INN
9526 niraparib
Synonyms
compound 56 [PMID 19873981] | MK 4827 | MK-4827 | Zejula®
Database Links
CAS Registry No. 1038915-60-4
ChEMBL Ligand CHEMBL1094636
PubChem CID 24958200
RCSB PDB Ligand 3JD
Search Google for chemical match using the InChIKey PCHKPVIQAHNQLW-CQSZACIVSA-N
Search Google for chemicals with the same backbone PCHKPVIQAHNQLW
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Search UniChem for chemical match using the InChIKey PCHKPVIQAHNQLW-CQSZACIVSA-N
Search UniChem for chemicals with the same backbone PCHKPVIQAHNQLW
SynPHARM 81911 (in complex with poly(ADP-ribose) polymerase 1)
Comments
Niraparib is a novel orally available poly(ADP-ribose) polymerase (PARP) inhibitor [4].