Bioactive Compound Details

BioIDbio2627
NameEPINASTINE HYDROCHLORIDE
ChEMBL IDCHEMBL1200491
Molecular FormulaC16H16ClN3
Molecular Weight285.78
Molecular Weight (Monoisotopic)249.1266
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsALESION|DE-114|ELESTAT|EPINASTINE HCL|EPINASTINE HYDROCHLORIDE|Epinastine Hydrochloride|RELESTAT|WAL 801 CL|WAL-801CL|WAL-802-CL
SmilesCl.NC1=NCC2c3ccccc3Cc3ccccc3N12
InchiInChI=1S/C16H15N3.ClH/c17-16-18-10-15-13-7-3-1-5-11(13)9-12-6-2-4-8-14(12)19(15)16;/h1-8,15H,9-10H2,(H2,17,18);1H
Inchi KeyVKXSGUIOOQPGAF-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets2.0
Bioactivities18.0
Np Likeness Score-0.08
Records Key['EPINASTINE HYDROCHLORIDE', 'EPINASTINE HYDROCHLORIDE', 'EPINASTINE HYDROCHLORIDE', 'SID144205816', 'SID170465284', 'EPINASTINE HYDROCHLORIDE']
Records Name['EPINASTINE HYDROCHLORIDE', 'EPINASTINE HYDROCHLORIDE', 'EPINASTINE HYDROCHLORIDE', 'SID144205816', 'SID170465284', 'EPINASTINE HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure