Bioactive Compound Details

BioIDbio2666
NameNone
ChEMBL IDCHEMBL267803
Molecular FormulaC10H16N5O4P
Molecular Weight301.24
Molecular Weight (Monoisotopic)301.094
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-(5-Phosphonopentyl)Guanine
SmilesNc1nc(O)c2ncn(CCCCCP(=O)(O)O)c2n1
InchiInChI=1S/C10H16N5O4P/c11-10-13-8-7(9(16)14-10)12-6-15(8)4-2-1-3-5-20(17,18)19/h6H,1-5H2,(H2,17,18,19)(H3,11,13,14,16)
Inchi KeyZQMIYPAADORARG-UHFFFAOYSA-N
Molecular SpeciesACID
Targets4.0
Bioactivities9.0
Np Likeness Score-0.63
Records Key['Guanine 9-(5-phosphonopentyl)', '4', '9-(5-phosphonopentyl)guanine', '3g']
Records Name['[5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-pentyl]-phosphonic acid', '[5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-pentyl]-phosphonic acid', '[5-(2-Amino-6-oxo-1,6-dihydro-purin-9-yl)-pentyl]-phosphonic acid', '9-(5-phosphonopentyl)guanine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure