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
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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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (EMA (2005), FDA (2015))
IUPAC Name Click here for help
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
Search Google for chemical match using the InChIKey ACRHBAYQBXXRTO-OAQYLSRUSA-N
Search Google for chemicals with the same backbone ACRHBAYQBXXRTO
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UniChem Compound Search for chemical match using the InChIKey ACRHBAYQBXXRTO-OAQYLSRUSA-N
UniChem Connectivity Search for chemical match using the InChIKey ACRHBAYQBXXRTO-OAQYLSRUSA-N
Wikipedia Ivabradine