Ligand Id: 2357
Ligand name ivabradine

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 10
Topological polar surface area 60.47
Molecular weight 468.26
XLogP 2.57
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Summary Biological activity References Structure Similar ligands
Classification
Compound class Synthetic organic
IUPAC Name
3-[3-[[(8S)-3,4-dimethoxy-8-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl-methylamino]propyl]-7,8-dimethoxy-2,5-dihydro-1H-3-benzazepin-4-one
International Nonproprietary Names
INN number INN
7523 ivabradine
Synonyms
(S)-3-(3-(((3,4-Dimethoxybicyclo(4.2.0)octa-1,3,5-trien-7-yl)methyl)methylamino)propyl)-1,3,4,5-tetrahydro-7,8-dimethoxy-2H-3-benzazepin-2-one
Database Links
BindingDB Ligand 50326992
CAS Registry No. 155974-00-8 (source: Scifinder)
ChEBI CHEBI:548872
ChEMBL Ligand 548872
PubChem CID 132999
Search on ChemSpider ACRHBAYQBXXRTO-OAQYLSRUSA-N
Wikipedia Ivabradine
ZINC ZINC03805768

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