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
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.
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