Bioactive Compound Details

BioIDbio3178
NameOZAGREL
ChEMBL IDCHEMBL11662
Molecular FormulaC13H12N2O2
Molecular Weight228.25
Molecular Weight (Monoisotopic)228.0899
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsKCT-0809|OZAGREL|OZAGREL SODIUM
SmilesO=C(O)/C=C/c1ccc(Cn2ccnc2)cc1
InchiInChI=1S/C13H12N2O2/c16-13(17)6-5-11-1-3-12(4-2-11)9-15-8-7-14-10-15/h1-8,10H,9H2,(H,16,17)/b6-5+
Inchi KeySHZKQBHERIJWAO-AATRIKPKSA-N
Molecular SpeciesACID
Targets80.0
Bioactivities170.0
Np Likeness Score-0.77
Records Key['Ozagrel', '7 (OKY 046)', 'ozogrel', '1 (OKY-046)', 'OKY-046', '2', 'II(OKY-046)', 'ozagrel', 'Ozagrel', 'Ozagrel', 'OKY-046', 'OZAGREL', 'Ozagrel', 'Ozagrel sodium脢', 'Ozagrel', 'Ozagrel', 'COVC-1749665046', 'Ozagrel', 'OZAGREL', 'Ozagrel', 'OZAGREL', 'Ozagrel sodium脗', 'Ozagrel', 'OZAGREL', 'Ozagrel', 'Ozagrel', 'EUB0001815a', 'EUB0001815a', 'Ozagrel', 'ozagrel', 'BA1000997']
Records Name['(E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid', '(E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid', '(E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid', '3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid', '(E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid', '3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid', '3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid', '(E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid', 'Ozagrel', '(E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid', '3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid', 'OZAGREL', 'Ozagrel', 'Ozagrel sodium脢', 'Ozagrel', '(E)-3-(4-Imidazol-1-ylmethyl-phenyl)-acrylic acid', 'OZAGREL', 'Ozagrel', 'OZAGREL', 'Ozagrel', 'OZAGREL', 'Ozagrel sodium脗', 'Ozagrel', 'OZAGREL', 'Ozagrel', '(E)-3-(4-((1H-imidazol-1-yl)methyl)phenyl)acrylic acid', 'Ozagrel', 'Ozagrel', 'Ozagrel', 'ozagrel', 'OZAGREL']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure