Ligand id: 8094

Name: AG14361

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 50.16
Molecular weight 320.16
XLogP 2.67
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
AG14361 causes chemosensitization and radiosensitization to anticancer agents in vitro and in vivo [2-3,6].
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 8.2 pKi - 5
pKi 8.2 (Ki 5.8x10-9 M) [5]