Bioactive Compound Details

BioIDbio199693
NameDECITABINE
ChEMBL IDCHEMBL1201129
Molecular FormulaC8H12N4O4
Molecular Weight228.21
Molecular Weight (Monoisotopic)228.0859
TypeSmall molecule
Max PhasePhase 4
Target IDTar81
Target NameNone
Synonyms2'-DEOXY-5-AZACYTIDINE|DAC|DECITABINA|DECITABINE|Dacogen|NSC-127716
SmilesNc1ncn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
InchiInChI=1S/C8H12N4O4/c9-7-10-3-12(8(15)11-7)6-1-4(14)5(2-13)16-6/h3-6,13-14H,1-2H2,(H2,9,11,15)/t4-,5+,6+/m0/s1
Inchi KeyXAUDJQYHKZQPEU-KVQBGUIXSA-N
Molecular SpeciesNEUTRAL
Targets157.0
Bioactivities223.0
Np Likeness Score1.11
Records Key['SID419300', '98', 'SID144205864', 'SID47211573', 'SID56324652', '5-aza-2-deoxycytidine 20 milligrams per liter', 'dAZC', 'Decitabine', 'SID170465126', '5-aza-dC', 'Decitabine', 'Decitabine', 'SID57260149', '8', 'DECITABINE', 5-aza-2'-deoxycytidine 5 micromolar", 'Decitabine', "5-aza-2'-deoxycytidine 4 micromolar", 'DECITABINE', '5-aza-dC', 'DECITABINE', '2', 'Dec, decitabin', 'Decitabine', 'DECITABINE', 'Decitabine', 'DECITABINE', 'decitabine', 'decitabine', 'DECITABINE', '5AZAdC', 'COVC-0676527133', 'DECITABINE', 'decitabine', '9c', 'decitabine', 'DECITABINE']"
Records Name['SID419300', 'Decitabine', 'SID144205864', 'SID47211573', 'SID56324652', '5-aza-2-deoxycytidine', '4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-[1,3,5]triazin-2-one (dAZC)', 'Decitabine', 'SID170465126', 5-aza-2'-deoxycytidine", 'Decitabine', 'Decitabine', 'SID57260149', 'Decitabine', 'DECITABINE', "5-aza-2'-deoxycytidine", 'Decitabine', "5-aza-2'-deoxycytidine", 'DECITABINE', "5-aza-2'-deoxycytidine", 'DECITABINE', 'decitabine', "5-aza-2'-deoxycytidine", 'Decitabine', 'DECITABINE', 'Decitabine', 'DECITABINE', 'decitabine', 'decitabine', 'DECITABINE', "5-aza-2'-deoxycytidine", 'DECITABINE_DACOGEN', 'DECITABINE', 'decitabine', 'Zebularine', 'decitabine', 'DECITABINE']"
Withdrawn FlagFalse
Orphan1

Molecular Structure

2D Molecular Structure