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 GtoPdb and ChEMBL (where available) across species

Selectivity at ion channels
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
Kir3.2 Mm Channel blocker Antagonist 4.4 pIC50 - 1
pIC50 4.4 [1]
Voltage: -70.0 mV
Kir3.4 Mm Channel blocker Antagonist 3.6 pIC50 - 1
pIC50 3.6 [1]
Voltage: -70.0 mV
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Affinity Units Concentration range (M) Reference
SERT Hs Inhibitor Inhibition 9.6 pKd - 2
pKd 9.6 (Kd 2.8x10-10 M) [2]
NET Hs Inhibitor Inhibition 7.4 pKd - 2
pKd 7.4 (Kd 3.8x10-8 M) [2]
DAT Hs Inhibitor Inhibition 5.7 pKd - 2
pKd 5.7 (Kd 2.19x10-6 M) [2]
SERT Hs Inhibitor Inhibition 9.7 pKi - 2
pKi 9.7 (Ki 2.1x10-10 M) [2]