Bioactive Compound Details

BioIDbio2876
NameAZELASTINE HYDROCHLORIDE
ChEMBL IDCHEMBL1200809
Molecular FormulaC22H25Cl2N3O
Molecular Weight418.37
Molecular Weight (Monoisotopic)381.1608
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsA-5610|ASTELIN|ASTEPRO|ASTEPRO ALLERGY|AZELASTINE HCL|AZELASTINE HYDROCHLORIDE|CHILDREN'S ASTEPRO ALLERGY|E-0659|OPTILAST|OPTIVAR|RHINOLAST|RHINOLAST ALLERGY|W-2979M
SmilesCN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1.Cl
InchiInChI=1S/C22H24ClN3O.ClH/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16;/h2-3,6-11,18H,4-5,12-15H2,1H3;1H
Inchi KeyYEJAJYAHJQIWNU-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets94.0
Bioactivities1221.0
Np Likeness Score-1.06
Records Key['SID170465172', 'SID49681818', 'AZELASTINE HYDROCHLORIDE', 'SID26749052', 'AZELASTINE HYDROCHLORIDE', 'AZELASTINE HYDROCHLORIDE', 'AZELASTINE HYDROCHLORIDE', 'AZELASTINE HYDROCHLORIDE', 'Azelastine hydrochloride', 'azelastine, HCl', 'SAM001246645', 'SID144205022', 'AZELASTINE HYDROCHLORIDE', 'AZELASTINE HYDROCHLORIDE', 'AZELASTINE HYDROCHLORIDE', 'AZELASTINE HYDROCHLORIDE', 'EUB0000486aCl', 'EUB0000486aCl', 'EUB0000486aCl', 'EOS101316', 'EUB0000486aCl', 'EUB0000486aCl']
Records Name['SID170465172', 'SID49681818', 'AZELASTINE HYDROCHLORIDE', 'SID26749052', 'AZELASTINE HYDROCHLORIDE', 'AZELASTINE HYDROCHLORIDE', 'AZELASTINE HYDROCHLORIDE', 'AZELASTINE HYDROCHLORIDE', 'Azelastine hydrochloride', 'rac-azelastine hydrochloride', 'C0164893', 'SID144205022', 'AZELASTINE HYDROCHLORIDE', 'AZELASTINE HYDROCHLORIDE', 'AZELASTINE HYDROCHLORIDE', 'AZELASTINE HYDROCHLORIDE', 'AZELASTINE', 'AZELASTINE', 'AZELASTINE', 'Azelastine (hydrochloride)', 'AZELASTINE', 'AZELASTINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure