Bioactive Compound Details

BioIDbio2331
NameRITOLUKAST
ChEMBL IDCHEMBL17344
Molecular FormulaC17H13F3N2O3S
Molecular Weight382.36
Molecular Weight (Monoisotopic)382.0599
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsRITOLUKAST|Ritolukast|WY-48252
SmilesO=S(=O)(Nc1cccc(OCc2ccc3ccccc3n2)c1)C(F)(F)F
InchiInChI=1S/C17H13F3N2O3S/c18-17(19,20)26(23,24)22-13-5-3-6-15(10-13)25-11-14-9-8-12-4-1-2-7-16(12)21-14/h1-10,22H,11H2
Inchi KeyGOHUJGMYCZDYDF-UHFFFAOYSA-N
Molecular SpeciesACID
Targets10.0
Bioactivities45.0
Np Likeness Score-1.26
Records Key['122, WY-48252', '35, WY-48252', '16', 'WY-48252', '14, WY-48252', 'WY-48252', 'Ritolukast, WY-48252', 'RITOLUKAST']
Records Name['C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl]-methanesulfonamide (Wy 48252)', 'C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl]-methanesulfonamide', 'C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl]-methanesulfonamide', 'C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl]-methanesulfonamide', 'C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl]-methanesulfonamide (WY-48252)', 'C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl]-methanesulfonamide (WY-48252)', 'C,C,C-Trifluoro-N-[3-(quinolin-2-ylmethoxy)-phenyl]-methanesulfonamide', 'RITOLUKAST']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure