Bioactive Compound Details

BioIDbio2131
NameNone
ChEMBL IDCHEMBL19285
Molecular FormulaC9H14N5O5P
Molecular Weight303.22
Molecular Weight (Monoisotopic)303.0733
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-[3-(Phosphonomethoxy)Propyl]Guanine
SmilesNc1nc(O)c2ncn(CCCOCP(=O)(O)O)c2n1
InchiInChI=1S/C9H14N5O5P/c10-9-12-7-6(8(15)13-9)11-4-14(7)2-1-3-19-5-20(16,17)18/h4H,1-3,5H2,(H2,16,17,18)(H3,10,12,13,15)
Inchi KeyWYMKPVYTVNNZNW-UHFFFAOYSA-N
Molecular SpeciesACID
Targets8.0
Bioactivities10.0
Np Likeness Score-0.79
Records Key['3']
Records Name['9-[3-(Phosphonomethoxy)propyl]guanine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure