Bioactive Compound Details

BioIDbio3002
NameDALOSIRVAT
ChEMBL IDCHEMBL4650339
Molecular FormulaC18H16O4
Molecular Weight296.32
Molecular Weight (Monoisotopic)296.1049
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsDALOSIRVAT|SM-04554|SM04554
SmilesO=C(CCC(=O)c1ccc2c(c1)OCCO2)c1ccccc1
InchiInChI=1S/C18H16O4/c19-15(13-4-2-1-3-5-13)7-8-16(20)14-6-9-17-18(12-14)22-11-10-21-17/h1-6,9,12H,7-8,10-11H2
Inchi KeyAOCDRSSVFUCURK-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-0.53
Records Key['DALOSIRVAT', 'DALOSIRVAT']
Records Name['DALOSIRVAT', 'DALOSIRVAT']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure