Bioactive Compound Details

BioIDbio2302
NameNone
ChEMBL IDCHEMBL277694
Molecular FormulaC10H16N5O5P
Molecular Weight317.24
Molecular Weight (Monoisotopic)317.0889
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-[3-(Phosphonomethoxy)Butyl]Guanine
SmilesNc1nc(O)c2ncn(CCCCOCP(=O)(O)O)c2n1
InchiInChI=1S/C10H16N5O5P/c11-10-13-8-7(9(16)14-10)12-5-15(8)3-1-2-4-20-6-21(17,18)19/h5H,1-4,6H2,(H2,17,18,19)(H3,11,13,14,16)
Inchi KeyOAPSCEKADLGOBG-UHFFFAOYSA-N
Molecular SpeciesACID
Targets5.0
Bioactivities6.0
Np Likeness Score-0.72
Records Key['4']
Records Name['9-[3-(Phosphonomethoxy)butyl]guanine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure