clomipramine

Ligand id: 2398

Name: clomipramine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 6.48
Molecular weight 314.15
XLogP 5.13
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
SERT Inhibitor Inhibition 9.6 pKd - 2
pKd 9.6 (Kd 2.8x10-10 M) [2]
NET Inhibitor Inhibition 7.4 pKd - 2
pKd 7.4 (Kd 3.8x10-8 M) [2]
DAT Inhibitor Inhibition 5.7 pKd - 2
pKd 5.7 (Kd 2.19x10-6 M) [2]
SERT Inhibitor Inhibition 9.7 pKi - 2
pKi 9.7 (Ki 2.1x10-10 M) [2]
Selectivity at mouse ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Kir3.2 Channel blocker Antagonist 4.4 pIC50 - 1
pIC50 4.4 [1]
Voltage: -70.0 mV
Kir3.4 Channel blocker Antagonist 3.6 pIC50 - 1
pIC50 3.6 [1]
Voltage: -70.0 mV