Bioactive Compound Details

BioIDbio2824
NameNone
ChEMBL IDCHEMBL493859
Molecular FormulaC14H22N7O6P
Molecular Weight415.35
Molecular Weight (Monoisotopic)415.1369
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-(Bis(N,N'-(Methoxycarbonylmethyl)Phosphonamido)Methoxyethyl)Adenine
SmilesCOC(=O)CNP(=O)(COCCn1cnc2c(N)ncnc21)NCC(=O)OC
InchiInChI=1S/C14H22N7O6P/c1-25-10(22)5-19-28(24,20-6-11(23)26-2)9-27-4-3-21-8-18-12-13(15)16-7-17-14(12)21/h7-8H,3-6,9H2,1-2H3,(H2,15,16,17)(H2,19,20,24)
Inchi KeySHIMUAXZDRWMKY-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets1.0
Bioactivities1.0
Np Likeness Score-0.55
Records Key['51']
Records Name[9-(Bis(N,N'-(methoxycarbonylmethyl)phosphonamido)methoxyethyl)adenine"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure