compound 24 [PMID: 26987013 ]

Ligand id: 9252

Name: compound 24 [PMID: 26987013 ]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 118.87
Molecular weight 499.1
XLogP 4.94
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
In vivo, compound 24 dose-dependently reduced the disease activity index in a mouse model of inflammatory bowel disease (the acute dextran sulfate sodium (DSS)-induced colitis model) [2].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
CCR9 Hs Antagonist Antagonist 8.2 pKi - 2
pKi 8.2 (Ki 6x10-9 M) [2]
Description: FLIPR calcium assay using MOLT4 cells