compound 21 [PMID: 25259874]

Ligand id: 8381

Name: compound 21 [PMID: 25259874]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 12
Topological polar surface area 156.98
Molecular weight 448.22
XLogP 4.88
No. Lipinski's rules broken 2

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
C3a receptor Hs Agonist Full agonist 7.7 pEC50 - 1
pEC50 7.7 (EC50 2x10-8 M) [1]