Bioactive Compound Details

BioIDbio200403
NameDOXECITINE
ChEMBL IDCHEMBL66115
Molecular FormulaC9H13N3O4
Molecular Weight227.22
Molecular Weight (Monoisotopic)227.0906
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
Synonyms2'-Deoxycytidine|2'-deoxycytidine|DEOXYCYTIDINE|DOXECITINE|MT1621 (dC)
SmilesNc1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1
InchiInChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
Inchi KeyCKTSBUTUHBMZGZ-SHYZEUOFSA-N
Molecular SpeciesNEUTRAL
Targets36.0
Bioactivities72.0
Np Likeness Score1.51
Records Key['4b', 2'-deoxycytidine", 'FC', 'dCyd', "2'Deoxycytidine", "2'deoxycytidine", '3a', '16', 'table II', "beta-L-2'-deoxycytidine", '7', "2'-deoxycytidine", "2'-deoxycytidine", 'dCyd', 'deoxycytidine', "2'-Deoxycytidine", "2'-deoxycytidine", '2a', 'SID26754278', '2a', 'DOXECITINE', 'COVC-0141973723', 'dC', 'dCTP', 'dCyd', "2'-deoxycytidine", '5azadC', "2'-Deoxycytidine (hydrochloride)", 'DOXECITINE']"
Records Name['4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one', '4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one', '4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one (FC)', '4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one', '4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one', 4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one (2'deoxycytidine)", '4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one', '1-(2,3-Dideoxy-3-C-methyl-beta-D-erythro-pentofuranosyl)-cytosine', '4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-1H-pyrimidin-2-one', '4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one', '4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)pyrimidin-2(1H)-one', "2'-deoxycytidine", "2'-deoxycytidine", 'deoxycytidine', 'deoxycytidine', "2'-Deoxycytidine", "2'-deoxycytidine", "2'-deoxycytidine", 'SID26754278', "2'-deoxycytidine", 'DOXECITINE', 'TORCITABINE', '4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one', '4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one', 'deoxycytidine', "2'-deoxycytidine", '4-amino-1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)pyrimidin-2(1H)-one', "2'-Deoxycytidine (hydrochloride)", 'DOXECITINE']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure