Ligand Id: 2406
Ligand name verapamil

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

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
Approved drug? Yes (source: DrugBank)
DrugBank groups approved
IUPAC Name
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
Summary of Clinical Use
Used therapeutically as a calcium channel blocker in the treatment of cardiac arrhythmia, hypertension and angina. A class IV antiarrhythmic agent, verapamil decreases impulse conduction through the AV node.
International Nonproprietary Names
INN number INN
2122 verapamil
Synonyms
2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile
Database Links
BindingDB Ligand 50279753
CAS Registry No. 152-11-4 (source: NCI), 52-53-9 (source: ChEBI), 111974-69-7 (source: ChEBI)
ChEBI CHEBI:9948
ChEMBL Ligand 547087, 647882, 152931, 341327, 341464, 341762, 350508, 408459, 547070
DrugBank Ligand DB00661
Human Metabolome Database HMDB01850
PubChem CID 2520
Search on ChemSpider SGTNSNPWRIOYBX-UHFFFAOYSA-N
Wikipedia Verapamil
ZINC ZINC03812888, ZINC03871832

Please note: some links may refer to related isomers. For more details please contact: curators@iuphar-db.org