Bioactive Compound Details

BioIDbio2335
NameNone
ChEMBL IDCHEMBL1215591
Molecular FormulaC14H28N2O4
Molecular Weight288.39
Molecular Weight (Monoisotopic)288.2049
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsMethyl 3-{[9-(Dimethylamino)Nonanoyl](Hydroxy)Amino}Propanoate
SmilesCNCCCCCCCCC(=O)N(O)CCC(=O)OC
InchiInChI=1S/C14H28N2O4/c1-15-11-8-6-4-3-5-7-9-13(17)16(19)12-10-14(18)20-2/h15,19H,3-12H2,1-2H3
Inchi KeyLPLFLSMTWYQPFW-UHFFFAOYSA-N
Molecular SpeciesBASE
Targets4.0
Bioactivities5.0
Np Likeness Score0.32
Records Key['17']
Records Name['Methyl 3-{[9-(Dimethylamino)nonanoyl](hydroxy)amino}propanoate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure