Bioactive Compound Details

BioIDbio2754
NameSPARSENTAN
ChEMBL IDCHEMBL539423
Molecular FormulaC32H40N4O5S
Molecular Weight592.76
Molecular Weight (Monoisotopic)592.2719
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsESPARSENTAN|FILSPARI|PS-433540|PS433540|RE-021|SPARSENTAN|Sparsentan
SmilesCCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)Nc2noc(C)c2C)c(COCC)c1
InchiInChI=1S/C32H40N4O5S/c1-5-7-14-29-33-32(17-10-11-18-32)31(37)36(29)20-24-15-16-26(25(19-24)21-40-6-2)27-12-8-9-13-28(27)42(38,39)35-30-22(3)23(4)41-34-30/h8-9,12-13,15-16,19H,5-7,10-11,14,17-18,20-21H2,1-4H3,(H,34,35)
Inchi KeyWRFHGDPIDHPWIQ-UHFFFAOYSA-N
Molecular SpeciesACID
Targets6.0
Bioactivities9.0
Np Likeness Score-0.82
Records Key['7', '93', '46, PS433540', 'SPARSENTAN', 'SPARSENTAN', 'SPARSENTAN', 'SPARSENTAN', 'SPARSENTAN']
Records Name[4''-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)-2''-ethoxymethyl-biphenyl-2-sulfonic acid (4,5-dimethyl-isoxazol-3-yl)-amide", "4'-(2-Butyl-4-oxo-1,3-diaza-spiro[4.4]non-1-en-3-ylmethyl)-2'-ethoxymethyl-biphenyl-2-sulfonic acid (4,5-dimethyl-isoxazol-3-yl)-amide", "4'-((2-butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl)-N-(4,5-dimethylisoxazol-3-yl)-2'-(ethoxymethyl)biphenyl-2-sulfonamide", 'SPARSENTAN', 'SPARSENTAN', 'SPARSENTAN', 'SPARSENTAN', 'SPARSENTAN']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure