compound 15 [PMID: 25411721]

Ligand id: 9078

Name: compound 15 [PMID: 25411721]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 48.99
Molecular weight 387.17
XLogP 5.3
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
In vitro, compound 15 inhibits the secretion of proinflammatory cytokines (e.g. TNFα and IL-12) from primary human monocytes, but does not affect secretion of antiinflammatory IL-10 [2]. In vivo, compound 15 inhibits LPS induced TNFα and IL-12 release in mice.
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
GPBA receptor Agonist Agonist 9.4 pEC50 - 2
pEC50 9.4 [2]
Description: Assessed in a cAMP production assay in Jurkat cells expressing exogenous hGPBAR1.
Selectivity at mouse GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
GPBA receptor Agonist Agonist 7.5 pEC50 - 2
pEC50 7.5 [2]
Description: Assessed in a cAMP production assay in Jurkat cells expressing exogenous mGPBAR1.