Bioactive Compound Details

BioIDbio2405
NameNone
ChEMBL IDCHEMBL576704
Molecular FormulaC12H10N4O2
Molecular Weight242.24
Molecular Weight (Monoisotopic)242.0804
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-[3-(Hydroxymethyl)Phenyl]Hypoxanthine
SmilesOCc1cccc(-n2cnc3c(O)ncnc32)c1
InchiInChI=1S/C12H10N4O2/c17-5-8-2-1-3-9(4-8)16-7-15-10-11(16)13-6-14-12(10)18/h1-4,6-7,17H,5H2,(H,13,14,18)
Inchi KeyGZLIXIKEWOWFSZ-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score-0.78
Records Key['15']
Records Name['9-[3-(Hydroxymethyl)phenyl]hypoxanthine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure