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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View more information in the IUPHAR Pharmacology Education Project: ivabradine

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
Selectivity at ion channels
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
HCN1 Mm Channel blocker Antagonist 6.0 pIC50 - 1
pIC50 6.0 [1]
Voltage: -35.0 mV
HCN1 Hs Channel blocker Antagonist 5.7 pIC50 - 4
pIC50 5.7 (IC50 2.25x10-6 M) [4]
HCN3 Hs Channel blocker Antagonist 5.7 pIC50 - 4
pIC50 5.7 (IC50 2.25x10-6 M) [4]
HCN4 Hs Channel blocker Antagonist 5.7 pIC50 - 4
pIC50 5.7 (IC50 2.25x10-6 M) [4]
HCN2 Mm Channel blocker Antagonist 5.6 pIC50 - 4
pIC50 5.6 (IC50 2.29x10-6 M) [4]
Ligand mentioned in the following text fields