compound 14 [PMID: 25050158]

Ligand id: 8539

Name: compound 14 [PMID: 25050158]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 74.6
Molecular weight 304.17
XLogP 5.09
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

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

Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
GABAB receptor Hs Allosteric modulator Negative 4.4 pIC50 - 1
pIC50 4.4 (IC50 3.79x10-5 M) [1]
Description: Negative modulation of GABA-induced IP3 production.