Bioactive Compound Details

BioIDbio2300
NameTEMANOGREL HYDROCHLORIDE
ChEMBL IDCHEMBL2105696
Molecular FormulaC24H29ClN4O4
Molecular Weight472.97
Molecular Weight (Monoisotopic)436.2111
TypeSmall molecule
Max PhasePhase 1
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsAPD791|TEMANOGREL HCL|TEMANOGREL HYDROCHLORIDE
SmilesCOc1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c(-c3ccnn3C)c2)c1.Cl
InchiInChI=1S/C24H28N4O4.ClH/c1-27-22(8-9-25-27)21-17-19(26-24(29)18-4-3-5-20(16-18)30-2)6-7-23(21)32-15-12-28-10-13-31-14-11-28;/h3-9,16-17H,10-15H2,1-2H3,(H,26,29);1H
Inchi KeyAPWHJJLFCMBWQT-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
TargetsNone
BioactivitiesNone
Np Likeness Score-1.86
Records Key['TEMANOGREL HYDROCHLORIDE']
Records Name['TEMANOGREL HYDROCHLORIDE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure