Bioactive Compound Details

BioIDbio2819
NameCIMETIDINE HYDROCHLORIDE
ChEMBL IDCHEMBL1201051
Molecular FormulaC10H17ClN6S
Molecular Weight288.81
Molecular Weight (Monoisotopic)252.1157
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCIMETIDINE HCL|CIMETIDINE HYDROCHLORIDE|TAGAMET
SmilesCN/C(=N\CCSCc1nc[nH]c1C)NC#N.Cl
InchiInChI=1S/C10H16N6S.ClH/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11;/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14);1H
Inchi KeyQJHCNBWLPSXHBL-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.18
Records Key['CIMETIDINE HYDROCHLORIDE', 'CIMETIDINE HYDROCHLORIDE', 'CIMETIDINE HYDROCHLORIDE']
Records Name['CIMETIDINE HYDROCHLORIDE', 'CIMETIDINE HYDROCHLORIDE', 'CIMETIDINE HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure