Bioactive Compound Details

BioIDbio199702
Name4'-THIO-2'-DEOXYCYTIDINE
ChEMBL IDCHEMBL1169490
Molecular FormulaC9H13N3O3S
Molecular Weight243.29
Molecular Weight (Monoisotopic)243.0678
TypeSmall molecule
Max PhasePhase 1
Target IDTar81
Target NameNone
Synonyms2'-DEOXY-4'-THIOCYTIDINE|4'-THIO-2'-DEOXYCYTIDINE|4'-THIO-2'-DEOXYCYTIDINE, (-)-|NSC-764276|TDCYD
SmilesNc1ccn([C@H]2C[C@H](O)[C@@H](CO)S2)c(=O)n1
InchiInChI=1S/C9H13N3O3S/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 KeyMOMUJZRKXYLWMH-SHYZEUOFSA-N
Molecular SpeciesNEUTRAL
Targets4.0
Bioactivities6.0
Np Likeness Score0.66
Records Key['7Beta', '14', 4'-THIO-2'-DEOXYCYTIDINE"]"
Records Name['4-Amino-1-(4-hydroxy-5-hydroxymethyl-tetrahydro-thiophen-2-yl)-1H-pyrimidin-2-one', '1-(2-Deoxy-4-thio-beta-D-ribofuranosyl)-cytosine', 4'-THIO-2'-DEOXYCYTIDINE"]"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure