mibefradil

Ligand id: 2522

Name: mibefradil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 67.45
Molecular weight 495.29
XLogP 6.43
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

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

Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Cav3.2 Channel blocker Antagonist 5.9 – 7.2 pIC50 - 2
pIC50 5.9 – 7.2 (IC50 1.1x10-6 – 6.9x10-8 M) [2]
Voltage: -110.0 – -80.0 mV
Cav3.1 Channel blocker Antagonist 6.0 – 6.6 pIC50 - 2
pIC50 6.0 – 6.6 (IC50 1x10-6 – 2.7x10-7 M) [2]
Voltage: -110.0 – -100.0 mV
Cav3.3 Channel blocker Antagonist 5.8 pIC50 - 2
pIC50 5.8 (IC50 1.5x10-6 M) [2]
Voltage: -110.0 mV
Cav1.2 Channel blocker Antagonist 4.9 pIC50 - 2
pIC50 4.9 [2]
Voltage: -110.0 mV
CatSper1 Channel blocker Inhibition 4.4 – 4.5 pIC50 - 3
pIC50 4.4 – 4.5 (IC50 4x10-5 – 3x10-5 M) [3]
Description: Patch clamp electrophysiology, kinetic rapid mixing fluometry
CatSper2 Channel blocker Inhibition 4.4 – 4.5 pIC50 - 3
pIC50 4.4 – 4.5 (IC50 4x10-5 – 3x10-5 M) [3]
Description: Patch clamp electrophysiology and kinetic rapid mixing fluometry.
CatSper3 Channel blocker Inhibition 4.4 – 4.5 pIC50 - 3
pIC50 4.4 – 4.5 (IC50 4x10-5 – 3x10-5 M) [3]
Description: Patch clamp electrophysiology, kinetic rapid mixing fluometry.
CatSper4 Channel blocker Inhibition 4.4 – 4.5 pIC50 - 3
pIC50 4.4 – 4.5 (IC50 4x10-5 – 3x10-5 M) [3]
Description: Patch clamp electrophysiology, kinetic rapid mixing fluometry.
CaCC Channel blocker - - - -
VRAC Channel blocker - - - -
Selectivity at rat ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Cav2.1 Gating inhibitor - 6.5 pIC50 - 1
pIC50 6.5 [1]
Voltage: -100.0 mV
Cav2.3 Gating inhibitor - 6.4 pIC50 - 1
pIC50 6.4 [1]
Voltage: -100.0 mV