Bioactive Compound Details

BioIDbio2355
NameNone
ChEMBL IDCHEMBL2147481
Molecular FormulaC16H26N7O6P
Molecular Weight443.4
Molecular Weight (Monoisotopic)443.1682
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-(2-Hydroxyethoxymethyl)Guanine, Phosphorodimorpholidate
SmilesNc1nc2c(ncn2COCCOP(=O)(N2CCOCC2)N2CCOCC2)c(=O)[nH]1
InchiInChI=1S/C16H26N7O6P/c17-16-19-14-13(15(24)20-16)18-11-21(14)12-28-9-10-29-30(25,22-1-5-26-6-2-22)23-3-7-27-8-4-23/h11H,1-10,12H2,(H3,17,19,20,24)
Inchi KeyWUAFKBHRXDLLRD-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities8.0
Np Likeness Score-0.33
Records Key['6']
Records Name['9-(2-Hydroxyethoxymethyl)guanine, phosphorodimorpholidate']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure