protriptyline

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 GtoPdb and ChEMBL (where available) across species

Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
NET Hs Inhibitor Inhibition 8.9 pKd - 4
pKd 8.9 (Kd 1.41x10-9 M) [4]
SERT Hs Inhibitor Inhibition 7.7 pKd - 4
pKd 7.7 (Kd 1.96x10-8 M) [4]
NET Hs Inhibitor Inhibition 8.2 pKi - 2
pKi 8.2 (Ki 6.8x10-9 M) [2]
NET Hs 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.