Bioactive Compound Details

BioIDbio3238
NameBETAHISTINE HYDROCHLORIDE
ChEMBL IDCHEMBL1446813
Molecular FormulaC8H14Cl2N2
Molecular Weight209.12
Molecular Weight (Monoisotopic)136.1
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsBETAHISTINE DIHYDROCHLORIDE|BETAHISTINE HCL|BETAHISTINE HYDROCHLORIDE|NSC-757397|PT-9|SERC-16|SERC-8
SmilesCNCCc1ccccn1.Cl.Cl
InchiInChI=1S/C8H12N2.2ClH/c1-9-7-5-8-4-2-3-6-10-8;;/h2-4,6,9H,5,7H2,1H3;2*1H
Inchi KeyXVDFMHARQUBJRE-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets4.0
Bioactivities5.0
Np Likeness Score-1.3
Records Key['BETAHISTINE HYDROCHLORIDE', 'SID26749927', 'Betahistine DiHCl', 'BETAHISTINE HYDROCHLORIDE', 'Betahistine DiHCl', 'BETAHISTINE HYDROCHLORIDE']
Records Name['BETAHISTINE HYDROCHLORIDE', 'SID26749927', 'Betahistine Dihydrochloride', 'BETAHISTINE HYDROCHLORIDE', 'Betahistine DiHCl', 'BETAHISTINE HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure