Bioactive Compound Details

BioIDbio200014
NameIVABRADINE HYDROCHLORIDE
ChEMBL IDCHEMBL2145077
Molecular FormulaC27H37ClN2O5
Molecular Weight505.06
Molecular Weight (Monoisotopic)468.2624
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
SynonymsAMG 998|AMG-998|CORLENTOR|Corlanor|IVABRADINE|IVABRADINE HCL|IVABRADINE HYDROCHLORIDE|Ivabradine Zentiva|Procoralan|S 16257|S-16257-2
SmilesCOc1cc2c(cc1OC)CC(=O)N(CCCN(C)C[C@H]1Cc3cc(OC)c(OC)cc31)CC2.Cl
InchiInChI=1S/C27H36N2O5.ClH/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;1H/t21-;/m1./s1
Inchi KeyHLUKNZUABFFNQS-ZMBIFBSDSA-N
Molecular SpeciesBASE
Targets4.0
Bioactivities15.0
Np Likeness Score-0.24
Records Key['SID144206355', 'SID50125937', 'IVABRADINE HYDROCHLORIDE', 'Ivabradine hydrochloride', 'IVABRADINE HYDROCHLORIDE', 'IVABRADINE HYDROCHLORIDE']
Records Name['SID144206355', 'SID50125937', 'IVABRADINE HYDROCHLORIDE', 'Ivabradine hydrochloride', 'IVABRADINE HYDROCHLORIDE', 'IVABRADINE HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure