macitentan

Ligand id: 7352

Name: macitentan

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 136.6
Molecular weight 585.96
XLogP 3.23
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
ETA receptor Antagonist Antagonist 9.3 pIC50 - 1
pIC50 9.3 (IC50 5x10-10 M) [1]
ETB receptor Antagonist Antagonist 6.4 pIC50 - 1
pIC50 6.4 (IC50 3.91x10-7 M) [1]