Bioactive Compound Details

BioIDbio170237
NameSELADELPAR
ChEMBL IDCHEMBL230158
Molecular FormulaC21H23F3O5S
Molecular Weight444.47
Molecular Weight (Monoisotopic)444.1218
TypeSmall molecule
Max PhasePhase 3
Target IDTar44
Target NameNone
SynonymsMBX-8025|RWJ-800025|SELADELPAR
SmilesCCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1
InchiInChI=1S/C21H23F3O5S/c1-3-27-17(11-28-16-6-4-15(5-7-16)21(22,23)24)13-30-18-8-9-19(14(2)10-18)29-12-20(25)26/h4-10,17H,3,11-13H2,1-2H3,(H,25,26)/t17-/m1/s1
Inchi KeyJWHYSEDOYMYMNM-QGZVFWFLSA-N
Molecular SpeciesACID
Targets5.0
Bioactivities13.0
Np Likeness Score-0.87
Records Key['3R', 'SELADELPAR', 'SELADELPAR', '5', 'SELADELPAR', 'SELADELPAR', 'COVC-2287514546', '30; MBX-8025']
Records Name['(R)-2-(4-(2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propylthio)-2-methylphenoxy)acetic acid', 'SELADELPAR', 'SELADELPAR', 'Seladelpar', 'SELADELPAR', 'SELADELPAR', 'SELADELPAR LYSINE', '(R)-2-(4-((2-ethoxy-3-(4-(trifluoromethyl)phenoxy)propyl)thio)-2-methylphenoxy)acetic acid']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure