Bioactive Compound Details

BioIDbio2216
NameZOLASARTAN
ChEMBL IDCHEMBL304639
Molecular FormulaC24H20BrClN6O3
Molecular Weight555.82
Molecular Weight (Monoisotopic)554.0469
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsGR 117289C|GR-117289|GR-117289C|ZOLASARTAN
SmilesCCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc2oc(-c3ccccc3-c3nnn[nH]3)c(Br)c2c1
InchiInChI=1S/C24H20BrClN6O3/c1-2-3-8-18-27-22(26)20(24(33)34)32(18)12-13-9-10-17-16(11-13)19(25)21(35-17)14-6-4-5-7-15(14)23-28-30-31-29-23/h4-7,9-11H,2-3,8,12H2,1H3,(H,33,34)(H,28,29,30,31)
Inchi KeyFIKYECRHLXONOX-UHFFFAOYSA-N
Molecular SpeciesACID
Targets7.0
Bioactivities24.0
Np Likeness Score-1.17
Records Key['GR-117289', 'GR-117289', '2, GR-117289', '11b', '23, GR-117289', '2', 'ZOLASARTAN', 'GR-117289']
Records Name['3-{3-Bromo-2-[2-(1H-tetrazol-5-yl)-phenyl]-benzofuran-5-ylmethyl}-2-butyl-5-chloro-3H-imidazole-4-carboxylic acid', '3-{3-Bromo-2-[2-(1H-tetrazol-5-yl)-phenyl]-benzofuran-5-ylmethyl}-2-butyl-5-chloro-3H-imidazole-4-carboxylic acid', '3-{3-Bromo-2-[2-(1H-tetrazol-5-yl)-phenyl]-benzofuran-5-ylmethyl}-2-butyl-5-chloro-3H-imidazole-4-carboxylic acid', '3-{3-Bromo-2-[2-(1H-tetrazol-5-yl)-phenyl]-benzofuran-5-ylmethyl}-2-butyl-5-chloro-3H-imidazole-4-carboxylic acid', '1-((2-(2-(1H-tetrazol-5-yl)phenyl)-3-bromobenzofuran-6-yl)methyl)-2-butyl-4-chloro-1H-imidazole-5-carboxylic acid', '3-{3-Bromo-2-[2-(1H-tetrazol-5-yl)-phenyl]-benzofuran-5-ylmethyl}-2-butyl-5-chloro-3H-imidazole-4-carboxylic acid', 'ZOLASARTAN', '3-{3-Bromo-2-[2-(1H-tetrazol-5-yl)-phenyl]-benzofuran-5-ylmethyl}-2-butyl-5-chloro-3H-imidazole-4-carboxylic acid']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure