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 GtoPdb and ChEMBL (where available) across species

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