bupivacaine

Ligand id: 2397

Name: bupivacaine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 32.34
Molecular weight 288.22
XLogP 4.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

View interactive charts of activity data from ChEMBL and GtoPdb across species (New!)

Bioactivity Comments
We have been unable to find publicly available affinity data for this drug (at human sodium channels) to substantiate its MMOA.
Selectivity at human ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
Kv1.5 Channel blocker - 5.4 pKd - 1
pKd 5.4 [1]
Selectivity at mouse ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
Kv4.3 Channel blocker - 4.0 – 4.5 pIC50 - 2-3
pIC50 4.5 [3]
pIC50 4.0 [2]
Selectivity at unknown species ion channels
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Target Type Action Affinity Units Concentration range (M) Reference
Kir3.2 Gating inhibitor Antagonist 4.0 – 4.2 pIC50 - 4
pIC50 4.0 – 4.2 [4]
Voltage: -110.0 – -40.0 mV