imipramine

Ligand id: 357

Name: imipramine

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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 280.19
XLogP 5.24
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 GPCRs
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Target Type Action Affinity Units Concentration range (M) Reference
M2 receptor Antagonist Antagonist 6.9 pKi - 3
pKi 6.9 [3]
Selectivity at human ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
Kv10.1 Channel blocker - 5.7 pIC50 - 1
pIC50 5.7 [1]
Selectivity at human transporters
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Target Type Action Affinity Units Concentration range (M) Reference
NET Inhibitor Inhibition 7.8 pKi -
pKi 7.8 (Ki 1.6x10-8 M)
SERT Inhibitor Inhibition 7.7 pKi - 4
pKi 7.7 (Ki 2.03x10-8 M) [4]
Description: Displacement of [3H]citalopram from hSERT.
Selectivity at mouse ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
Kir3.4 Channel blocker Antagonist 4.5 pEC50 - 2
pEC50 4.5 [2]
Voltage: -70.0 mV
Kir3.2 Channel blocker Antagonist 4.3 pIC50 - 2
pIC50 4.3 [2]
Voltage: -70.0 mV