mibefradil

Ligand id: 2522

Name: mibefradil

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 67.45
Molecular weight 495.29
XLogP 6.43
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (FDA (1997))
Withdrawn drug? Yes
IUPAC Name
[(1S,2S)-2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] 2-methoxyacetate
International Nonproprietary Names
INN number INN
7134 mibefradil
Synonyms
Posicor® | Ro-405967-001
Database Links
BindingDB Ligand 50117922
CAS Registry No. 116644-53-2 (source: Scifinder)
ChEMBL Ligand CHEMBL45816
DrugBank Ligand DB01388
GtoPdb PubChem SID 53801058
PubChem CID 60663
Search Google for chemical match using the InChIKey HBNPJJILLOYFJU-VMPREFPWSA-N
Search Google for chemicals with the same backbone HBNPJJILLOYFJU
Search PubMed clinical trials mibefradil
Search PubMed titles mibefradil
Search PubMed titles/abstracts mibefradil
Search UniChem for chemical match using the InChIKey HBNPJJILLOYFJU-VMPREFPWSA-N
Search UniChem for chemicals with the same backbone HBNPJJILLOYFJU
Wikipedia Mibefradil
Comments
Marketed formulations contained mibefradil dihydrochloride (PubChem CID 60662).