bepridil   

GtoPdb Ligand ID: 2337

Synonyms: CERM-1978 | Vascor®
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.
2D Structure
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Physico-chemical Properties
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
SMILES / InChI / InChIKey
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
InChI Key UIEATEWHFDRYRU-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1990))
IUPAC Name
N-[3-(2-methylpropoxy)-2-pyrrolidin-1-ylpropyl]-N-(phenylmethyl)aniline
International Nonproprietary Names
INN number INN
3465 bepridil
Synonyms
CERM-1978 | Vascor®
Comments
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.
Database Links
BindingDB Ligand 50017667
CAS Registry No. 64706-54-3
ChEBI CHEBI:3061
ChEMBL Ligand CHEMBL1008
DrugBank Ligand DB01244
DrugCentral Ligand 342
GtoPdb PubChem SID 135649982
PubChem CID 2351
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Search UniChem for chemical match using the InChIKey UIEATEWHFDRYRU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UIEATEWHFDRYRU
Wikipedia Bepridil