verapamil

Ligand id: 2406

Name: verapamil

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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 13
Topological polar surface area 63.95
Molecular weight 454.28
XLogP 4.71
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/carnitine transporter 2
Organic cation/carnitine transporter 1
Selectivity at human ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Kv1.7 Channel blocker - 4.8 pKd - 1
pKd 4.8 [1]
TPC2 Channel blocker Inhibition 5.0 pIC50 - 10
pIC50 5.0 (IC50 1x10-5 M) [10]
TPC1 Channel blocker Inhibition 4.6 pIC50 - 3
pIC50 4.6 (IC50 2.3x10-5 M) [3]
Kv1.8 Channel blocker - 4.3 pIC50 - 7
pIC50 4.3 [7]
Navi2.1 Channel blocker - 3.4 pIC50 -
pIC50 3.4 (IC50 3.8x10-4 M)
Cav1.1 Channel blocker Antagonist - - -
Cav1.2 Channel blocker Antagonist - - -
Cav1.3 Channel blocker Antagonist - - -
Selectivity at human enzymes
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
CYP3A4 Inhibitor Inhibition 6.2 pKi - 11
pKi 6.2 (Ki 6x10-7 M) [11]
Description: Inhibition of testosterone 6β-hydroxylation.
Selectivity at human transporters
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Plasma membrane monoamine transporter Inhibitor Inhibition 4.7 pKi - 4,9
pKi 4.7 (Ki 1.86x10-5 M) [4,9]
Selectivity at mouse ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Cav1.4 Channel blocker - - - 1x10-4 2
Conc range: 1x10-4 M [2]
Voltage: -80.0 mV
Kir3.2 Gating inhibitor Antagonist 3.9 pIC50 - 6
pIC50 3.9 [6]
Voltage: -100.0 mV
Selectivity at rat ion channels
Key to terms and symbols Click column headers to sort
Target Type Action Affinity Units Concentration range (M) Reference
Kv3.2 Channel blocker - 4.9 pEC50 - 8
pEC50 4.9 [8]
Cav1.2 Gating inhibitor - 5.3 – 6.5 pIC50 - 5
pIC50 5.3 – 6.5 [5]
Voltage: -60.0 – 10.0 mV