Bioactive Compound Details

BioIDbio200027
NameLADARIXIN
ChEMBL IDCHEMBL189475
Molecular FormulaC11H12F3NO6S2
Molecular Weight375.35
Molecular Weight (Monoisotopic)375.0058
TypeSmall molecule
Max PhasePhase 3
Target IDTar81
Target NameNone
SynonymsDF2156A|LADARIXIN|LADARIXINA|LADARIXINE|Ladarixin
SmilesC[C@@H](C(=O)NS(C)(=O)=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1
InchiInChI=1S/C11H12F3NO6S2/c1-7(10(16)15-22(2,17)18)8-3-5-9(6-4-8)21-23(19,20)11(12,13)14/h3-7H,1-2H3,(H,15,16)/t7-/m1/s1
Inchi KeyDDLPYOCJHQSVSZ-SSDOTTSWSA-N
Molecular SpeciesACID
Targets19.0
Bioactivities49.0
Np Likeness Score-0.67
Records Key['57', '1', '5456', '19', 'Ladarixin sodium脢', 'LADARIXIN', 'Ladarixin sodium脗', 'DF2156A']
Records Name['(R)-4-(1-(methylsulfonamido)-1-oxopropan-2-yl)phenyl trifluoromethanesulfonate', 'Trifluoro-methanesulfonic acid 4-((R)-2-methanesulfonylamino-1-methyl-2-oxo-ethyl)-phenyl ester', None, R-(-)-2-[(4'-trifluoromethanesulphonyloxy)phenyl]-N-methanesulfonylpropionamide", 'Ladarixin sodium脢', 'LADARIXIN', 'Ladarixin sodium脗', 'Ladarixin']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure