Bioactive Compound Details

BioIDbio2494
NameNone
ChEMBL IDCHEMBL1215589
Molecular FormulaC20H33ClN2O4
Molecular Weight400.95
Molecular Weight (Monoisotopic)364.2362
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms3-({9-[Benzyl(Methyl)]Amino}Nonanoyl(Hydroxy)Amino)Propanoicacid Hydrochloride
SmilesCN(CCCCCCCCC(=O)N(O)CCC(=O)O)Cc1ccccc1.Cl
InchiInChI=1S/C20H32N2O4.ClH/c1-21(17-18-11-7-6-8-12-18)15-10-5-3-2-4-9-13-19(23)22(26)16-14-20(24)25;/h6-8,11-12,26H,2-5,9-10,13-17H2,1H3,(H,24,25);1H
Inchi KeyYLEBNWSYEAYGTP-UHFFFAOYSA-N
Molecular SpeciesZWITTERION
Targets5.0
Bioactivities5.0
Np Likeness Score-0.3
Records Key['15']
Records Name['3-({9-[Benzyl(methyl)]amino}nonanoyl(hydroxy)amino)propanoic acid Hydrochloride']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure