Bioactive Compound Details

BioIDbio1987
NameAZELASTINE
ChEMBL IDCHEMBL639
Molecular FormulaC22H24ClN3O
Molecular Weight381.91
Molecular Weight (Monoisotopic)381.1608
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAZELASTINA|AZELASTINE|Azelastine|NSC-758971
SmilesCN1CCCC(n2nc(Cc3ccc(Cl)cc3)c3ccccc3c2=O)CC1
InchiInChI=1S/C22H24ClN3O/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
Inchi KeyMBUVEWMHONZEQD-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets81.0
Bioactivities204.0
Np Likeness Score-1.06
Records Key['Azelastine', 'azelastine', 'Azelastine', 'azelastine', '29', 'Azelastine', 'Azelastine', 'Azelastine', 'Azelastine', 'Azelastine', 'Azelastine', 'Azelastine', 'AZELASTINE', 'azelastine', 'Azelastine', '1455', 'Azelastine', 'azelastine', 'AZELASTINE', 'AZELASTINE', 'Azelastine (table SVI)', 'Azelastine', 'Azelastine', 'AZELASTINE', 'COVC-0677008167', 'Azelastine', '5', 'Azelastine', 'azelastine', '36; Compound N4', 'Azelastine', 'BA1000315']
Records Name['Azelastine', '4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-phthalazin-1-one', '4-[(4-chlorophenyl)methyl]-2-(1-methylazepan-4-yl)-1,2-dihydrophthalazin-1-one', 'azelastine', 'Azelastine', '4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-phthalazin-1-one', '4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-phthalazin-1-one', '4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-phthalazin-1-one', 'Azelastine', 'Azelastine', 'Azelastine', 'Azelastine', 'AZELASTINE', 'azelastine', 'Azelastine', None, 'rac-Azelastine', 'azelastine', 'AZELASTINE', 'AZELASTINE', 'Azelastine', 'Azelastine', 'Azelastine', 'AZELASTINE', 'AZELASTINE', 'Azelastine', '4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one', 'Azelastine', 'azelastine', '4-(4-chlorobenzyl)-2-(1-methylazepan-4-yl)phthalazin-1(2H)-one', 'Azelastine', 'AZELASTINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure