compound 5B [PMID: 25349648]

Ligand id: 7831

Name: compound 5B [PMID: 25349648]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 91.34
Molecular weight 488.2
XLogP 4.92
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from GtoPdb and ChEMBL (where available) across species

Bioactivity Comments
Compound 5B is reported to significantly reduce triglyceride excursion in lipid tolerance in rat and mouse models [1]. It also reduces food intake and body weight in mice via a DGAT1-mediated mechanism [1].
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
diacylglycerol O-acyltransferase 1 Hs Inhibitor Inhibition 8.4 pIC50 - 1
pIC50 8.4 (IC50 3.9x10-9 M) [1]