Bioactive Compound Details

BioIDbio2736
NameVIDUPIPRANT
ChEMBL IDCHEMBL1951575
Molecular FormulaC28H27Cl2FN2O6S
Molecular Weight609.5
Molecular Weight (Monoisotopic)608.0951
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAMG 853|AMG-853|AMG853|VIDUPIPRANT|Vidupiprant
SmilesCC(C)(C)NC(=O)c1ccc(Oc2cc(F)c(CC(=O)O)cc2Cl)c(NS(=O)(=O)c2ccc(C3CC3)cc2Cl)c1
InchiInChI=1S/C28H27Cl2FN2O6S/c1-28(2,3)32-27(36)17-6-8-23(39-24-14-21(31)18(11-19(24)29)13-26(34)35)22(12-17)33-40(37,38)25-9-7-16(10-20(25)30)15-4-5-15/h6-12,14-15,33H,4-5,13H2,1-3H3,(H,32,36)(H,34,35)
Inchi KeyPFWVGKROPKKEDW-UHFFFAOYSA-N
Molecular SpeciesACID
Targets38.0
Bioactivities111.0
Np Likeness Score-1.4
Records Key['VIDUPIPRANT', 'AMG 853', '2, AMG-853', 'VIDUPIPRANT', '5, AMG-853', '1', '5502', 'COVC-1224731953']
Records Name['VIDUPIPRANT', '2-(4-(4-(tert-Butylcarbamoyl)-2-(2-chloro-4-cyclopropylphenylsulfonamido)phenoxy)-5-chloro-2-fluorophenyl)acetic acid', '2-(4-(4-(tert-butylcarbamoyl)-2-(2-chloro-4-cyclopropylphenylsulfonamido)phenoxy)-5-chloro-2-fluorophenyl)acetic acid', 'VIDUPIPRANT', '2-(4-(4-(tert-butylcarbamoyl)-2-(4-cyclopropylphenylsulfonamido)phenoxy)-5-chloro-2-fluorophenyl)acetic acid', 'Vidupiprant', None, 'VIDUPIPRANT']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure