maraviroc

Ligand id: 806

Name: maraviroc

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 63.05
Molecular weight 513.33
XLogP 7.43
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

Bioactivity Comments
Maraviroc has been described as a negative allosteric modulator of CCR5 [1].
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
CCR5 Hs Antagonist Antagonist 8.1 pIC50 - 4
pIC50 8.1 (IC50 7.94x10-9 M) [4]
Ligand mentioned in the following text fields