Bioactive Compound Details

BioIDbio2642
NameRAGAGLITAZAR
ChEMBL IDCHEMBL24038
Molecular FormulaC25H25NO5
Molecular Weight419.48
Molecular Weight (Monoisotopic)419.1733
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsRAGAGLITAZAR|Ragaglitazar
SmilesCCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)O
InchiInChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
Inchi KeyWMUIIGVAWPWQAW-DEOSSOPVSA-N
Molecular SpeciesACID
Targets7.0
Bioactivities53.0
Np Likeness Score-0.4
Records Key['3 (S)', '8', '3', '(-)6', '(-)DRF 2725', 'ragaglitazar', '6', '(+)6', 'ragaglitazar', '3(S), DRF 2725', '3', '(S)-4b', 'RAGAGLITAZAR', '5', 'ragaglitazar', 'ragaglitazar']
Records Name['2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-propionic acid', '2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-propionic acid', '(S)-2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-propionic acid', '2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-propionic acid', '2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-propionic acid(-) DRF 2725', 'ragaglitazar', '2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-propionic acid', '2-Ethoxy-3-[4-(2-phenoxazin-10-yl-ethoxy)-phenyl]-propionic acid', 'ragaglitazar', '(S)-3-(4-(2-(10H-phenoxazin-10-yl)ethoxy)phenyl)-2-ethoxypropanoic acid', '(S)-3-(4-(2-(10H-phenoxazin-10-yl)ethoxy)phenyl)-2-ethoxypropanoic acid', 'Ragaglitazar', 'RAGAGLITAZAR', 'Ragaglitazar', 'ragaglitazar', 'ragaglitazar']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure