tolvaptan

Ligand id: 2226

Name: tolvaptan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 69.64
Molecular weight 448.16
XLogP 6.55
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
V2 receptor Antagonist Antagonist 9.4 – 9.4 pKi - 1
pKi 9.4 [1]
pKi 9.4 (Ki 4.3x10-10 M) [1]
V1A receptor Antagonist Antagonist 7.9 pKi - 1
pKi 7.9 [1]
Selectivity at rat GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
V2 receptor Antagonist Antagonist 8.9 pKi - 1
pKi 8.9 [1]
V1A receptor Antagonist Antagonist 6.5 pKi - 1
pKi 6.5 [1]