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 2.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Compound class Synthetic organic
AG 14361
Database Links
CAS Registry No. 328543-09-5
ChEMBL Ligand CHEMBL65892
PubChem CID 9840076
Search Google for chemical match using the InChIKey SEKJSSBJKFLZIT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SEKJSSBJKFLZIT
AG14361 is a potent experimental inhibitor of poly (ADP-ribose) polymerase 1 (PARP1) [7]. Its discovery is described in [5], where it is compound 22.