ivabradine   Click here for help

GtoPdb Ligand ID: 2357

Synonyms: Corlanor® | Corlentor® | Procoralan® | S-16257
Approved drug
ivabradine is an approved drug (EMA (2005), FDA (2015))
Compound class: Synthetic organic
Comment: Marketed drugs contain ivabradine hydrochloride (PubChem CID 3045381).
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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 60.47
Molecular weight 468.26
XLogP 2.41
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1cc2CC(c2cc1OC)CN(CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C
Isomeric SMILES COc1cc2C[C@@H](c2cc1OC)CN(CCCN1CCc2c(CC1=O)cc(c(c2)OC)OC)C
InChI InChI=1S/C27H36N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21H,6-11,15,17H2,1-5H3/t21-/m1/s1
InChI Key ACRHBAYQBXXRTO-OAQYLSRUSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA (2005), FDA (2015))
IUPAC Name Click here for help
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 Click here for help
INN number INN
7523 ivabradine
Synonyms Click here for help
Corlanor® | Corlentor® | Procoralan® | S-16257
Database Links Click here for help
BindingDB Ligand 50326992
CAS Registry No. 155974-00-8 (source: Scifinder)
ChEMBL Ligand CHEMBL471737
DrugCentral Ligand 3312
GtoPdb PubChem SID 135650438
PubChem CID 132999
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Wikipedia Ivabradine