Bioactive Compound Details

BioIDbio200590
NameDOXRIBTIMINE
ChEMBL IDCHEMBL52609
Molecular FormulaC10H14N2O5
Molecular Weight242.23
Molecular Weight (Monoisotopic)242.0903
TypeSmall molecule
Max PhasePhase 2
Target IDTar81
Target NameNone
Synonyms2'-DEOXYTHYMIDINE|2'deoxythymidine|DEOXYRIBOTHYMIDINE|DOXRIBTIMINE|MT1621 (dT)|NSC-21548|THYMIDINE|THYMINE-2-DESOXYRIBOSIDE|Thymidin|Thymidinedeoxyriboside|ZIDOVUDINE RELATED COMPOUND D|ZIDOVUDINE RELATED COMPOUND D RS
SmilesCc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O
InchiInChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
Inchi KeyIQFYYKKMVGJFEH-XLPZGREQSA-N
Molecular SpeciesNEUTRAL
Targets55.0
Bioactivities213.0
Np Likeness Score1.04
Records Key['thymidine', 'thymidine', 'L-thymidine', 'Thymidine', 'Thymidine', '4a', 'table 1', 'Thymidine', 'dThd (Thymidine)', 'dT', 'dThd', 'dTHd', 'Thymidine', '15', 'thymidine', 'Thd', 'beta-L-dT', '7', 'dT', 'dT', 'dTHD', 'Carbo-dT', 'Thymidine', 'Thymidine', 'D-thymidine', 'thymidine', 'AraT 5-methyl-ara-U', 'Thd (Thymidine)', 'Thymidine', 'TDR', '3 (d Thd)', 'Thymidine', 'Thymidine', 'Thymidine', '13', 'thymidine', 'dThd', 'L-TdR', 'TdR', 'page1258, R14C2', 'SID29215196', '1', 'thymidine', 'Thd', 'thymidine', 'thymidine', 'Thymidine', 'dT', 'thymidine', 'TdR', 'Thymidine', 'Thd', 'dThd', 'SID144205113', '6', 'THY', 'thymidine', 'thymidine', 'Thymidine', 'thymidine', 'T', '1i', 'Thd', '1', 'TdR (table IV)', 'dT', 'TdR', '6', 'DOXRIBTIMINE', 'thymidine', 'Alovudine', 'COVC-1747188503', 'Cpd T', 'Thymidine', 'DOXRIBTIMINE']
Records Name['1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (thymidine)', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (thymidine)', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', 'Thymidine', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (Thymidine)', '1-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', 'Thymidine', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione (thymidine)', '1-((2R,5R)-3,4-Dihydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', 'beta-L-thymidine', 'thymidine', '1-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', 'Thymidine', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', 'thymidine', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-((2R,4S,5R)-4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2,4-dione', '1-(4-Hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-5-methyl-1H-pyrimidine-2
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure