Bioactive Compound Details

BioIDbio2052
NameNone
ChEMBL IDCHEMBL572194
Molecular FormulaC12H10N4O
Molecular Weight226.24
Molecular Weight (Monoisotopic)226.0855
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-[3-(Hydroxymethyl)Phenyl)Purine
SmilesOCc1cccc(-n2cnc3cncnc32)c1
InchiInChI=1S/C12H10N4O/c17-6-9-2-1-3-10(4-9)16-8-15-11-5-13-7-14-12(11)16/h1-5,7-8,17H,6H2
Inchi KeyBVIJNYJLBRMJEM-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities2.0
Np Likeness Score-1.04
Records Key['12']
Records Name['9-[3-(Hydroxymethyl)phenyl)purine']
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure