Bioactive Compound Details

BioIDbio2895
NameFEVIPIPRANT
ChEMBL IDCHEMBL3137332
Molecular FormulaC19H17F3N2O4S
Molecular Weight426.42
Molecular Weight (Monoisotopic)426.0861
TypeSmall molecule
Max PhasePhase 3
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsFEVIPIPRANT|NVP-QAW039|QAW-039|QAW039|fevipiprant
SmilesCc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F
InchiInChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)
Inchi KeyGFPPXZDRVCSVNR-UHFFFAOYSA-N
Molecular SpeciesACID
Targets42.0
Bioactivities990.0
Np Likeness Score-1.49
Records Key['FEVIPIPRANT', 'FEVIPIPRANT', 'Example 95', '11; NVP-QAW039', 'EUB0000803a', 'EUB0000803a', 'EUB0000803a', 'EUB0000803a']
Records Name['FEVIPIPRANT', 'FEVIPIPRANT', '[1-(4-Methanesulfonyl-2-trifluoromethyl-benzyl)-2-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl]-acetic acid', 'Fevipiprant; 2-(2-methyl-1-(4-(methylsulfonyl)-2-(trifluoromethyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-3-yl)acetic acid', 'FEVIPIPRANT', 'FEVIPIPRANT', 'FEVIPIPRANT', 'FEVIPIPRANT']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure