Bioactive Compound Details

BioIDbio2261
NameOXMETIDINE MESYLATE
ChEMBL IDCHEMBL3989465
Molecular FormulaC21H29N5O9S3
Molecular Weight591.69
Molecular Weight (Monoisotopic)399.1365
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsOXMETIDINE MESILATE|OXMETIDINE MESYLATE|SK&F 92994-J2|SKF-92994-J2
SmilesCS(=O)(=O)O.CS(=O)(=O)O.Cc1[nH]cnc1CSCCNc1nc(=O)c(Cc2ccc3c(c2)OCO3)c[nH]1
InchiInChI=1S/C19H21N5O3S.2CH4O3S/c1-12-15(23-10-22-12)9-28-5-4-20-19-21-8-14(18(25)24-19)6-13-2-3-16-17(7-13)27-11-26-16;2*1-5(2,3)4/h2-3,7-8,10H,4-6,9,11H2,1H3,(H,22,23)(H2,20,21,24,25);2*1H3,(H,2,3,4)
Inchi KeyKSTYTCDFRHRFLH-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-0.79
Records Key['OXMETIDINE MESYLATE']
Records Name['OXMETIDINE MESYLATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure