Bioactive Compound Details

BioIDbio2106
NameXYLAZINE HYDROCHLORIDE
ChEMBL IDCHEMBL1256022
Molecular FormulaC12H17ClN2S
Molecular Weight256.8
Molecular Weight (Monoisotopic)220.1034
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBAY VA 1470|BAY-VA-1470|XYLAZIN HYDROCHLORIDE|XYLAZINE HCL|XYLAZINE HYDROCHLORIDE
SmilesCc1cccc(C)c1NC1=NCCCS1.Cl
InchiInChI=1S/C12H16N2S.ClH/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12;/h3,5-6H,4,7-8H2,1-2H3,(H,13,14);1H
Inchi KeyQYEFBJRXKKSABU-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets8.0
Bioactivities16.0
Np Likeness Score-1.19
Records Key['NCGC00094489-01', 'XYLAZINE HYDROCHLORIDE', 'Xylazine hydrochloride', 'SID50107195']
Records Name['Xylazine hydrochloride', 'XYLAZINE HYDROCHLORIDE', 'Xylazine hydrochloride', 'SID50107195']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure