rucaparib

Ligand id: 7736

Name: rucaparib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 3
Topological polar surface area 56.92
Molecular weight 323.14
XLogP 2.71
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (2016))
International Nonproprietary Names
INN number INN
9471 rucaparib
Synonyms
AG-014699 | AG014699 | AG14447 | PF-01367338 | Rubraca®
Database Links
CAS Registry No. 283173-50-2
ChEMBL Ligand CHEMBL1173055
PubChem CID 9931954
RCSB PDB Ligand RPB
Search Google for chemical match using the InChIKey HMABYWSNWIZPAG-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HMABYWSNWIZPAG
Search PubMed clinical trials rucaparib
Search PubMed titles rucaparib
Search PubMed titles/abstracts rucaparib
Search UniChem for chemical match using the InChIKey HMABYWSNWIZPAG-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HMABYWSNWIZPAG
SynPHARM 80263 (in complex with poly(ADP-ribose) polymerase 1)
Wikipedia Rucaparib
Comments
Rucaparib is an orally active poly(ADP-ribose)polymerase (PARP) inhibitor with anti-cancer activity [4]. It was developed by Clovis Oncology.
PARP inhibitors are known to enhance efficacy of anti-cancer therapies such as DNA alkylating agents, topoisomerase I poisons, and ionizing radiation.
Note that in the Thomas et al. paper [4], AG014699 refers to the phosphate salt and AG14447 to the parent molecule.
Rucaparib was accepted for FDA priority review for the treatment of advanced ovarian cancer harbouring mutant BRCA (August 2016).
Note: olaparib was the first PARP inhibitor to be approved for clinical use.