Bioactive Compound Details

BioIDbio2122
NameSELADELPAR LYSINE
ChEMBL IDCHEMBL3989960
Molecular FormulaC27H41F3N2O9S
Molecular Weight626.69
Molecular Weight (Monoisotopic)444.1218
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsMBX-8025 LYSINE DIHYDRATE|MBX-8025 LYSINE SALT, DIHYDRATE|MBX-8025 lysine|SELADELPAR LYSINE|SELADELPAR LYSINE DIHYDRATE
SmilesCCO[C@H](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1.NCCCC[C@H](N)C(=O)O.O.O
InchiInChI=1S/C21H23F3O5S.C6H14N2O2.2H2O/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;7-4-2-1-3-5(8)6(9)10;;/h4-10,17H,3,11-13H2,1-2H3,(H,25,26);5H,1-4,7-8H2,(H,9,10);2*1H2/t17-;5-;;/m10../s1
Inchi KeyWTKSWPYGZDCUNQ-JZXFCXSPSA-N
Molecular SpeciesACID
TargetsNone
BioactivitiesNone
Np Likeness Score-0.87
Records Key['SELADELPAR LYSINE']
Records Name['SELADELPAR LYSINE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure