desipramine

Ligand id: 2399

Name: desipramine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 15.27
Molecular weight 266.18
XLogP 5.01
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!)

Transporters Moving this Compound Across a Lipid Membrane
Transporter EC number Reaction Reference
Organic cation transporter 1
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 8.7 pKi - 4
pKi 8.7 (Ki 2.1x10-9 M) [4]
SERT Inhibitor Inhibition 6.8 pKi - 5
pKi 6.8 (Ki 1.63x10-7 M) [5]
Description: Assay using HEK-293 cells transfected with hSERT
Plasma membrane monoamine transporter Inhibitor Inhibition 4.5 pKi - 2,6
pKi 4.5 (Ki 3.26x10-5 M) [2,6]
Selectivity at mouse ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
Kir3.2 Channel blocker Antagonist 4.4 pIC50 - 3
pIC50 4.4 Data obtained using Kir3.1/3.2 heteromer [3]
Voltage: -70.0 mV
Kir3.4 Channel blocker Antagonist 4.3 pIC50 - 3
pIC50 4.3 [3]
Voltage: -70.0 mV
Selectivity at rat transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
SERT Inhibitor Inhibition 7.7 pKi - 1
pKi 7.7 (Ki 2x10-8 M) [1]