compound 35 [PMID: 24157366]

Ligand id: 8554

Name: compound 35 [PMID: 24157366]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 54.46
Molecular weight 585.12
XLogP 6.55
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(1R,2R,4R)-2-(4-bromophenyl)-N-[(4-chlorophenyl)-(2-fluoropyridin-4-yl)methyl]-4-morpholin-4-ylcyclohexane-1-carboxamide
Database Links
ChEMBL Ligand CHEMBL3086040
GtoPdb PubChem SID 252166755
PubChem CID 54670056
Search Google for chemical match using the InChIKey ABJSOROVZZKJGI-OCYUSGCXSA-N
Search Google for chemicals with the same backbone ABJSOROVZZKJGI
Search UniChem for chemical match using the InChIKey ABJSOROVZZKJGI-OCYUSGCXSA-N
Search UniChem for chemicals with the same backbone ABJSOROVZZKJGI
Comments
This a tool compound reported as a prolylcarboxypeptidase (PRCP) inhibitor [1]. Additional structure-activity relationship (SAR) information for this (Example 12) and related compounds is provided in patent US8669252 B2 [2]. Prolylcarboxypeptidase is being investigated as a novel target for anti-obesity therapeutics due to its role in regulating metabolism.