tapentadol

Ligand id: 7477

Name: tapentadol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 23.47
Molecular weight 221.18
XLogP 3.68
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
ChEMBL bioassay data provides a Ki value of 160nM and an EC50 value of 670nM for the human μ-opioid receptor.
Selectivity at human GPCRs
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
μ receptor Agonist Agonist 6.8 pKi - 2
pKi 6.8 (Ki 1.6x10-7 M) [2]
Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
NET Inhibitor Inhibition 5.1 pKi - 2
pKi 5.1 (Ki 8.8x10-6 M) [2]