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Literature summary extracted from

  • Van Daele, I.; Munier-Lehmann, H.; Froeyen, M.; Balzarini, J.; Van Calenbergh, S.
    Rational design of 5-thiourea-substituted alpha-thymidine analogues as thymidine monophosphate kinase inhibitors capable of inhibiting mycobacterial growth (2007), J. Med. Chem., 50, 5281-5292.
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.4.9 1-(3,4-dichlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea comparison with inhibition of Mycobacterium tuberculosis enzyme Homo sapiens
2.7.4.9 1-(3,4-dichlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea comparison with inhibition of human enzyme Mycobacterium tuberculosis
2.7.4.9 1-(3,4-dichlorophenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea comparison with inhibition of human enzyme Mycobacterium tuberculosis
2.7.4.9 1-(3-chloro-4-trifluoromethylphenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea comparison with inhibition of Mycobacterium tuberculosis enzyme Homo sapiens
2.7.4.9 1-(3-chloro-4-trifluoromethylphenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea comparison with inhibition of human enzyme Mycobacterium tuberculosis
2.7.4.9 1-(4-benzyloxyphenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea comparison with inhibition of human enzyme Mycobacterium tuberculosis
2.7.4.9 1-(4-chlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea comparison with inhibition of Mycobacterium tuberculosis enzyme Homo sapiens
2.7.4.9 1-(4-chlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea comparison with inhibition of human enzyme Mycobacterium tuberculosis
2.7.4.9 1-(4-chlorophenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea comparison with inhibition of human enzyme Mycobacterium tuberculosis
2.7.4.9 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea comparison with inhibition of Mycobacterium tuberculosis enzyme Homo sapiens
2.7.4.9 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea comparison with inhibition of human enzyme Mycobacterium tuberculosis
2.7.4.9 N-(3,4-dichlorophenyl)-N'-(5'-deoxy-alpha-D-thymidin-5'-yl)-urea comparison with inhibition of Mycobacterium tuberculosis enzyme Homo sapiens
2.7.4.9 N-(3,4-dichlorophenyl)-N'-(5'-deoxy-alpha-D-thymidin-5'-yl)-urea comparison with inhibition of human enzyme Mycobacterium tuberculosis
2.7.4.9 N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3,4-dichlorophenylethyl)thiourea comparison with inhibition of Mycobacterium tuberculosis enzyme Homo sapiens
2.7.4.9 N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3,4-dichlorophenylethyl)thiourea comparison with inhibition of human enzyme Mycobacterium tuberculosis
2.7.4.9 N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorobenzyl)thiourea comparison with inhibition of Mycobacterium tuberculosis enzyme Homo sapiens
2.7.4.9 N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorobenzyl)thiourea comparison with inhibition of human enzyme Mycobacterium tuberculosis
2.7.4.9 N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(4-chloro-3-(trifluoromethyl)phenylethyl)urea comparison with inhibition of Mycobacterium tuberculosis enzyme Homo sapiens
2.7.4.9 N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(4-chloro-3-(trifluoromethyl)phenylethyl)urea comparison with inhibition of human enzyme Mycobacterium tuberculosis

Organism

EC Number Organism UniProt Comment Textmining
2.7.4.9 Homo sapiens
-
-
-
2.7.4.9 Mycobacterium tuberculosis P9WKE1
-
-

Ki Value [mM]

EC Number Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
2.7.4.9 0.0006
-
 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea pH 7.4 Mycobacterium tuberculosis
2.7.4.9 0.001
-
 1-(3,4-dichlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea pH 7.4 Mycobacterium tuberculosis
2.7.4.9 0.0011
-
 N-(3,4-dichlorophenyl)-N'-(5'-deoxy-alpha-D-thymidin-5'-yl)-urea pH 7.4 Mycobacterium tuberculosis
2.7.4.9 0.0019
-
 N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(4-chloro-3-(trifluoromethyl)phenylethyl)urea pH 7.4 Mycobacterium tuberculosis
2.7.4.9 0.0022
-
 N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3,4-dichlorophenylethyl)thiourea pH 7.4 Mycobacterium tuberculosis
2.7.4.9 0.0026
-
 N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorobenzyl)thiourea pH 7.4 Mycobacterium tuberculosis
2.7.4.9 0.0032
-
 1-(4-chlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea pH 7.4 Mycobacterium tuberculosis
2.7.4.9 0.005
-
 1-(3-chloro-4-trifluoromethylphenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea pH 7.4 Mycobacterium tuberculosis
2.7.4.9 0.0072
-
 1-(3,4-dichlorophenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea pH 7.4 Mycobacterium tuberculosis
2.7.4.9 0.0116
-
 N-(3,4-dichlorophenyl)-N'-(5'-deoxy-alpha-D-thymidin-5'-yl)-urea pH 7.4 Homo sapiens
2.7.4.9 0.012
-
 1-(4-benzyloxyphenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea pH 7.4 Mycobacterium tuberculosis
2.7.4.9 0.021
-
 1-(4-chlorophenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea pH 7.4 Mycobacterium tuberculosis
2.7.4.9 0.05
-
 N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3-trifluoromethyl-4-chlorobenzyl)thiourea pH 7.4 Homo sapiens
2.7.4.9 0.079
-
 N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(3,4-dichlorophenylethyl)thiourea pH 7.4 Homo sapiens
2.7.4.9 0.166
-
 N-(5'-deoxy-alpha-D-thymidin-5'-yl)-N'-(4-chloro-3-(trifluoromethyl)phenylethyl)urea pH 7.4 Homo sapiens
2.7.4.9 0.274
-
 1-(3,4-dichlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea pH 7.4 Homo sapiens
2.7.4.9 0.362
-
 1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea pH 7.4 Homo sapiens
2.7.4.9 1
-
 1-(4-chlorophenyl)-3-[[(2R,3S,5S)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl]thiourea pH 7.4 Homo sapiens
2.7.4.9 1
-
 1-(3-chloro-4-trifluoromethylphenyl)-3-[[(2S,3R,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl]methyl]thiourea pH 7.4 Homo sapiens