Bioactive Compound Details

BioIDbio2050
NameN-HYDROXYCYTIDINE
ChEMBL IDCHEMBL2178720
Molecular FormulaC9H13N3O6
Molecular Weight259.22
Molecular Weight (Monoisotopic)259.0804
TypeSmall molecule
Max PhaseUnknown
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
SynonymsN-Hydroxycytidine
SmilesO=c1nc(NO)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InchiInChI=1S/C9H13N3O6/c13-3-4-6(14)7(15)8(18-4)12-2-1-5(11-17)10-9(12)16/h1-2,4,6-8,13-15,17H,3H2,(H,10,11,16)/t4-,6-,7-,8-/m1/s1
Inchi KeyXCUAIINAJCDIPM-XVFCMESISA-N
Molecular SpeciesNEUTRAL
Targets18.0
Bioactivities42.0
Np Likeness Score1.31
Records Key['15, N4-OH-Cyd', 'N-Hydroxycytidine', 'N-HYDROXYCYTIDINE', 'NHC', 'NHC', '25; NHC, EIDD-1931', '1; NHC', 'NHC']
Records Name['1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-(hydroxyamino)pyrimidin-2(1H)-one', 'N-Hydroxycytidine', 'N-HYDROXYCYTIDINE', 'N-Hydroxycytidine', 'N(4)-hydroxycytidine', '1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-(hydroxyamino)pyrimidin-2(1H)-one', '1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-(hydroxyamino)pyrimidin-2(1H)-one', 'N4-hydroxycytidine']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure