Ligand id: 7285

Name: protriptyline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 12.03
Molecular weight 263.17
XLogP 8.59
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 transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
NET Inhibitor Inhibition 8.9 pKd - 4
pKd 8.9 (Kd 1.41x10-9 M) [4]
SERT Inhibitor Inhibition 7.7 pKd - 4
pKd 7.7 (Kd 1.96x10-8 M) [4]
NET Inhibitor Inhibition 8.2 pKi - 2
pKi 8.2 (Ki 6.8x10-9 M) [2]
NET Inhibitor Inhibition 8.8 pIC50 - 3
pIC50 8.8 (IC50 1.7x10-9 M) [3]
Description: Inhibition of [3H]nisoxetine binding to CHO cells expressing hNET.