ME0328

Ligand id: 8468

Name: ME0328

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 70.23
Molecular weight 322.16
XLogP 4.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(4-oxo-1H-quinazolin-2-yl)-N-[(1S)-1-phenylethyl]propanamide
Synonyms
compound 5b [PMID 24188023] | ME-0328
Database Links
CAS Registry No. 1445251-22-8
ChEMBL Ligand CHEMBL3092537
PubChem CID 71571526
RCSB PDB Ligand MEJ
Search Google for chemical match using the InChIKey QIHBWVVVRYYYRO-ZDUSSCGKSA-N
Search Google for chemicals with the same backbone QIHBWVVVRYYYRO
Search UniChem for chemical match using the InChIKey QIHBWVVVRYYYRO-ZDUSSCGKSA-N
Search UniChem for chemicals with the same backbone QIHBWVVVRYYYRO
SynPHARM 82200 (in complex with poly (ADP-ribose) polymerase 3)
Comments
ME0328 is an experimental probe compound which selectively inhibits the activity of poly (ADP-ribose) polymerase 3 (PARP3) [1].