Bioactive Compound Details

BioIDbio2836
NameAZACITIDINE
ChEMBL IDCHEMBL1489
Molecular FormulaC8H12N4O5
Molecular Weight244.21
Molecular Weight (Monoisotopic)244.0808
TypeSmall molecule
Max PhasePhase 4
Target IDTar12
Target NameToll-like receptor 9 (TLR9)
Synonyms5-AZACITIDINE|AZACITIDINA|AZACITIDINE|Azacitidine Accord|LADAKAMYCIN|NSC-102816|ONUREG|U-18,496|U-18496|VIDAZA|Vidaza
SmilesNc1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n1
InchiInChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
Inchi KeyNMUSYJAQQFHJEW-KVTDHHQDSA-N
Molecular SpeciesNEUTRAL
Targets202.0
Bioactivities719.0
Np Likeness Score1.32
Records Key['Azacytidine', 'AZACITIDINE', 'Azacitidine', 'Azacytidine', '5-Aza-cytidine', 'SID50105470', '5-azacytidine', 'Azacitidine', '8, azacytidine', 'azacytidine', '5-AC', 'SID170465076', '1', '5-AZC', '5-azaC, Vidaza', 'SID50105471', 'SID56323580', 'SID90341307', 'Azacytidine', 'SID56463100', 'AZACITIDINE', 'SID17390033', 'SID144213302', '6', 'SID26752817', 'SID56320704', '1, 5-AC, 5-azacytidine', 'Azacitidine', '5-azacitidine', '5-Azacitidine', 'AZACITIDINE', 'AZC', '5-Azacitidine', 'SID50122846', 'SAM002264595', 'AZACITIDINE', '5-aza-C', 'AZACITIDINE', 'COVC-3357905501', 'Aza', 'Azacitidine', '7', 'SID144204583', 'Azacytidine', '5-azacytidine', 'AZACITIDINE', '73', '5-Azacitidine', 'Azacitidine', 'SID124890084', '80', '1', 'AZACITIDINE', 'AZACITIDINE', 'azacitidine', 'AZACITIDINE', 'AZACITIDINE', 'AZACITIDINE', 'AZACITIDINE', '5-azacytidine', '9a', 'azacitidine', 'AZACITIDINE', 'BA1000714']
Records Name['4-Amino-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-[1,3,5]triazin-2-one (Azacytidine)', 'Azacitidine', '4-Amino-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-[1,3,5]triazin-2-one', 'Azacytidine', '4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one', 'SID50105470', '5-azacytidine', 'Azacitidine', '4-amino-1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1,3,5-triazin-2(1H)-one', 'azacytidine', '5-azacytidine', 'SID170465076', '5-Azacytidine', '5-azacytidine', '5-azacytidine', 'SID50105471', 'SID56323580', 'SID90341307', 'Azacytidine', 'SID56463100', 'AZACITIDINE', 'SID17390033', 'SID144213302', '5-azacytidine', 'SID26752817', 'SID56320704', '4-Amino-1-beta-D-ribofuranosyl-1,3,5-triazin-2(1H)-one', 'Azacitidine', '5-azacitidine', '5-Azacitidine', 'AZACITIDINE', '4-Amino-1-(3,4-dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-[1,3,5]triazin-2-one (AZC)', '5-Azacitidine', 'SID50122846', 'C0164427', 'AZACITIDINE', '5-azacytidine', 'AZACITIDINE', 'AZACITIDINE', 'Azacitidine', 'Azacitidine', '5-Azacitidine', 'SID144204583', 'Azacytidine', '5-azacytidine', 'AZACITIDINE', '5-Azacytidine', '5-Azacitidine', 'Azacitidine', 'SID124890084', '5-Azacytidine', 'azacitidine', 'AZACITIDINE', 'AZACITIDINE', 'azacitidine', 'AZACITIDINE', 'AZACITIDINE', 'AZACITIDINE', 'AZACITIDINE', '5-azacytidine', '5-azacytidine', 'azacitidine', 'AZACITIDINE', None]
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure