Bioactive Compound Details

BioIDbio2841
NameRANOLAZINE
ChEMBL IDCHEMBL1404
Molecular FormulaC24H33N3O4
Molecular Weight427.55
Molecular Weight (Monoisotopic)427.2471
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsASPRUZYO|ASPRUZYO SPRINKLE|CVT-303|NSC-759100|RAN D|RANEXA|RANOLAZINA|RANOLAZINE|RS-43285-003|Ranexa (previously Latixa)
SmilesCOc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1
InchiInChI=1S/C24H33N3O4/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)
Inchi KeyXKLMZUWKNUAPSZ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets86.0
Bioactivities270.0
Np Likeness Score-1.32
Records Key['Ranolazine', 'RANOLAZINE', 'ranolazine', 'SID26749060', 'ranolazine', 'ranolazine', 'SID26749061', 'SID90340842', 'RANOLAZINE', 'RANOLAZINE', 'SID104171232', 'SID50107515', '2213', 'SID170465435', 'SID56463697', 'Ranolazine', 'Ranolazine', 'RANOLAZINE', '1', '1', 'RANOLAZINE', 'SID174006299', 'Ranolazine', 'Ranolazine', 'RANOLAZINE', 'Ranolazine', 'Ranolazine', 'Ranolazine', 'Ranolazine', 'RANOLAZINE', 'COVC-3362073526', '2', '1', 'RANOLAZINE DIHYDROCHLORIDE', 'ranolazine', 'RANOLAZINE', 'RANOLAZINE', 'BA1001022']
Records Name['Ranolazine', 'RANOLAZINE', 'ranolazine', 'SID26749060', 'ranolazine', 'N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-3-(2-methoxyphenoxy)propyl)piperazin-1-yl)acetamide', 'SID26749061', 'SID90340842', 'RANOLAZINE', 'RANOLAZINE', 'SID104171232', 'SID50107515', None, 'SID170465435', 'SID56463697', 'Ranolazine', 'Ranolazine', 'RANOLAZINE', 'Ranolazine', 'Ranolazine', 'RANOLAZINE', 'SID174006299', 'Ranolazine', 'N-(2,6-dimethylphenyl)-2-(4-(2-hydroxy-3-(2-methoxyphenoxy)propyl)piperazin-1-yl)acetamide', 'RANOLAZINE', 'Ranolazine', 'Ranolazine', 'Ranolazine', 'Ranolazine', 'RANOLAZINE', 'RANOLAZINE', 'Ranolazine', 'Ranolazine', 'RANOLAZINE DIHYDROCHLORIDE', 'ranolazine', 'RANOLAZINE', 'RANOLAZINE', 'RANOLAZINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure