Bioactive Compound Details

BioIDbio2755
NameTELRATOLIMOD
ChEMBL IDCHEMBL4297631
Molecular FormulaC36H59N5O2
Molecular Weight593.9
Molecular Weight (Monoisotopic)593.4669
TypeSmall molecule
Max PhasePhase 2
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms3M-052|MEDI 9197|MEDI-9197|MEDI9197|TELRATOLIMOD
SmilesCCCCCCCCCCCCCCCCCC(=O)NCCCCOn1c(CCCC)nc2c(N)nc3ccccc3c21
InchiInChI=1S/C36H59N5O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-27-33(42)38-28-22-23-29-43-41-32(26-6-4-2)40-34-35(41)30-24-20-21-25-31(30)39-36(34)37/h20-21,24-25H,3-19,22-23,26-29H2,1-2H3,(H2,37,39)(H,38,42)
Inchi KeyRRTPWQXEERTRRK-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities4.0
Np Likeness Score-0.47
Records Key['TELRATOLIMOD', '3M-052']
Records Name['TELRATOLIMOD', 'N-(4-(4-amino-2-butyl-1H-imidazo[4,5-c]quinolin-1-yloxy)butyl)stearamide']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure