bepridil   Click here for help

GtoPdb Ligand ID: 2337

Synonyms: CERM-1978 | Vascor®
Approved drug
bepridil is an approved drug (FDA (1990))
Compound class: Synthetic organic
Comment: The drug bepridil is a racemic mixture of two enantiomers for the 2R as CID 16048570 and 2S as CID 445143. The structure shown here represents the mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 15.71
Molecular weight 366.27
XLogP 5.22
No. Lipinski's rules broken 1
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Canonical SMILES CC(COCC(N1CCCC1)CN(c1ccccc1)Cc1ccccc1)C
Isomeric SMILES CC(COCC(N1CCCC1)CN(c1ccccc1)Cc1ccccc1)C
InChI InChI=1S/C24H34N2O/c1-21(2)19-27-20-24(25-15-9-10-16-25)18-26(23-13-7-4-8-14-23)17-22-11-5-3-6-12-22/h3-8,11-14,21,24H,9-10,15-20H2,1-2H3
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (1990))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3465 bepridil
Synonyms Click here for help
CERM-1978 | Vascor®
Database Links Click here for help
BindingDB Ligand 50017667
CAS Registry No. 64706-54-3
ChEMBL Ligand CHEMBL1008
DrugBank Ligand DB01244
DrugCentral Ligand 342
GtoPdb PubChem SID 135649982
PubChem CID 2351
Search Google for chemical match using the InChIKey UIEATEWHFDRYRU-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey UIEATEWHFDRYRU-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey UIEATEWHFDRYRU-UHFFFAOYSA-N
Wikipedia Bepridil