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

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Note that some bioactivity data may be associated with the phosphate salt, PubChem CID 9931953.
Rucaparib sensitises cells to chemotherapy drugs and radiotherapy, when given alongside these anti-cancer therapies. As a single agent it shows no toxicity [6].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
poly(ADP-ribose) polymerase 1 Hs Inhibitor Inhibition 8.9 pKi - 6
pKi 8.9 (Ki 1.4x10-9 M) [6]