Bioactive Compound Details

BioIDbio3321
NameEVATANEPAG
ChEMBL IDCHEMBL563646
Molecular FormulaC25H28N2O5S
Molecular Weight468.58
Molecular Weight (Monoisotopic)468.1719
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsCP-533,536|CP-533536|EVATANEPAG
SmilesCC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1
InchiInChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)
Inchi KeyWOHRHWDYFNWPNG-UHFFFAOYSA-N
Molecular SpeciesACID
Targets13.0
Bioactivities33.0
Np Likeness Score-1.58
Records Key['EVATANEPAG', '7f, CP-533536', '7, CP-533536', 'Evatanepag', 'EVATANEPAG', 'EVATANEPAG', 'Evatanepag', 'Evatanepag']
Records Name['EVATANEPAG', '2-(3-((N-(4-tert-butylbenzyl)pyridine-3-sulfonamido)methyl)phenoxy)acetic acid', '2-(3-((N-(4-tert-butylbenzyl)pyridine-3-sulfonamido)methyl)phenoxy)acetate', 'Evatanepag', 'EVATANEPAG', 'EVATANEPAG', 'Evatanepag', 'Evatanepag']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure