compound 8 [PMID: 21692504]

Ligand id: 8491

Name: compound 8 [PMID: 21692504]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 52.89
Molecular weight 216.13
XLogP 2.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-(2-methylpropyl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[d]pyridine-4-carbonitrile
Database Links
ChEMBL Ligand CHEMBL1341461
GtoPdb PubChem SID 252166699
PubChem CID 661524
Search Google for chemical match using the InChIKey QOUMCRXJXXVERM-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QOUMCRXJXXVERM
Search UniChem for chemical match using the InChIKey QOUMCRXJXXVERM-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QOUMCRXJXXVERM
Comments
Compound 8 is reported as a brain-penetrating inhibitor of prolyl endopeptidase-like (PREPL) enzyme activity [1]. Compound 8 is a useful pharmacological tool for investigating the biochemistry and physiological function of PREPL.