Bioactive Compound Details

BioIDbio2213
NameRANOLAZINE HYDROCHLORIDE
ChEMBL IDCHEMBL1526084
Molecular FormulaC24H35Cl2N3O4
Molecular Weight500.47
Molecular Weight (Monoisotopic)427.2471
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsRANOLAZINE DIHYDROCHLORIDE|RANOLAZINE HCL|RANOLAZINE HYDROCHLORIDE|RS-43285
SmilesCOc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1.Cl.Cl
InchiInChI=1S/C24H33N3O4.2ClH/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3;;/h4-10,20,28H,11-17H2,1-3H3,(H,25,29);2*1H
Inchi KeyRJNSNFZXAZXOFX-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets17.0
Bioactivities25.0
Np Likeness Score-1.32
Records Key['Ranolazine dihydrochloride', 'SID50106963', 'RANOLAZINE DIHYDROCHLORIDE', 'SAM001246534', 'RANOLAZINE HYDROCHLORIDE', 'RANOLAZINE DIHYDROCHLORIDE', 'NCGC00094343-01', 'RANOLAZINE DIHYDROCHLORIDE']
Records Name['Ranolazine dihydrochloride', 'SID50106963', 'RANOLAZINE DIHYDROCHLORIDE', 'C0164948', 'RANOLAZINE HYDROCHLORIDE', 'RANOLAZINE DIHYDROCHLORIDE', 'Ranolazine dihydrochloride', 'RANOLAZINE DIHYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure