compound 2b-1 [PMID: 12614873]

Ligand id: 3696

Name: compound 2b-1 [PMID: 12614873]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 87.9
Molecular weight 584.37
XLogP 6.08
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!)

Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
CCR1 Antagonist Antagonist 8.7 pIC50 - 1
pIC50 8.7 [1]