Bioactive Compound Details

BioIDbio2310
NameNone
ChEMBL IDCHEMBL225599
Molecular FormulaC12H14N4O3
Molecular Weight262.27
Molecular Weight (Monoisotopic)262.1066
TypeSmall molecule
Max Phase--
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms9-deazaneplanocin
SmilesNc1ncnc2c([C@@H]3C=C(CO)[C@@H](O)[C@H]3O)c[nH]c12
InchiInChI=1S/C12H14N4O3/c13-12-9-8(15-4-16-12)7(2-14-9)6-1-5(3-17)10(18)11(6)19/h1-2,4,6,10-11,14,17-19H,3H2,(H2,13,15,16)/t6-,10+,11-/m0/s1
Inchi KeyYJKFBCOEVVOXCY-FZYJTZEISA-N
Molecular SpeciesNEUTRAL
Targets18.0
Bioactivities23.0
Np Likeness Score1.18
Records Key['1, 9-deazaneplanocin']
Records Name[(1'S,2'S,3'R)-4-amino-7-(2',3'-dihydroxy-4'-hydroxymethyl-4'-cyclopenten-1'-yl)-5H-pyrrolo[3,2-d]pyrimidine"]"
Withdrawn FlagFalse
Orphan-1

Molecular Structure

2D Molecular Structure