TDR Targets

Basic information

Technical information

TDR Targets ID: 1459193
Name: 6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-2, 5-disulfanylidene-4H-[1,3]thiazolo[5,4-e]pyri midin-7-one
MW: 445.578 | Formula: C20H19N3O3S3
H donors: 1 H acceptors: 1 LogP: 4.19 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(c(c1)N1C(=S)NC2C(C1=O)SC(=S)N2c1ccccc1C)OC
InChi: 1S/C20H17N3O3S3/c1-11-6-4-5-7-13(11)22-17-16(29-20(22)28)18(24)23(19(27)21-17)14-10-12(25-2)8-9-15(14)26-3/h4-10H,1-3H3,(H,21,27)
InChiKey: VLWAESOYNZZPNU-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

6-(2,5-dimethoxyphenyl)-3-(2-methylphenyl)-2,5-dithioxo-4H-thiazolo[5,4-e]pyrimidin-7-one
ChemDiv1_013835

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	galactokinase	0.008	0.2177	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0246	0.0276
Onchocerca volvulus		0.0058	0.137	1
Trypanosoma brucei	phosphomevalonate kinase protein, putative	0.0052	0.1143	0.1283
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0029	0.0246	0.0361
Trypanosoma brucei	hypothetical protein, conserved	0.0257	0.8912	1
Trypanosoma brucei	homoserine kinase	0.0052	0.1143	0.1283
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0023	0.0043	0.0077
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0043	0.0049
Echinococcus granulosus	survival motor neuron protein 1	0.0286	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0246	0.0435
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.003	0.0282	0.0316
Mycobacterium ulcerans	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	0.0052	0.1143	0.2026
Giardia lamblia	DINP protein human, muc B family	0.0023	0.0043	0.0379
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0246	0.0246
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.003	0.0282	0.0499
Mycobacterium ulcerans	phosphomevalonate kinase	0.0052	0.1143	0.2026
Trypanosoma brucei	mevalonate kinase, putative	0.0052	0.1143	0.1283
Trichomonas vaginalis	galactokinase, putative	0.008	0.2177	1
Echinococcus granulosus	dna polymerase eta	0.0023	0.0043	0.0043
Trichomonas vaginalis	galactokinase, putative	0.008	0.2177	1
Mycobacterium ulcerans	galactokinase	0.0171	0.5642	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0029	0.0246	0.0435
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0043	0.0043
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0043	0.0043
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Trichomonas vaginalis	galactokinase, putative	0.008	0.2177	1
Leishmania major	mevalonate kinase, putative	0.0052	0.1143	0.1283
Mycobacterium ulcerans	hypothetical protein	0.003	0.0282	0.0499
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Trypanosoma cruzi	galactokinase, putative	0.0171	0.5642	0.6331
Entamoeba histolytica	acyl-coA synthetase, putative	0.0029	0.0246	0.0361
Entamoeba histolytica	galactokinase, putative	0.0171	0.5642	1
Trichomonas vaginalis	galactokinase, putative	0.003	0.0302	0.1387
Schistosoma mansoni	survival motor neuron protein	0.0058	0.137	0.6292
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0246	0.0246
Loa Loa (eye worm)	galactokinase	0.008	0.2177	0.2177
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.137	0.137
Leishmania major	hypothetical protein, conserved	0.0257	0.8912	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0043	0.0049
Echinococcus multilocularis	Mevalonate galactokinase	0.0052	0.1143	0.1143
Mycobacterium leprae	Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase)	0.0052	0.1143	1
Trypanosoma cruzi	homoserine kinase	0.0052	0.1143	0.1283
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.003	0.0282	0.0499
Trypanosoma cruzi	hypothetical protein, conserved	0.0257	0.8912	1
Echinococcus granulosus	galactokinase	0.0171	0.5642	0.5642
Mycobacterium ulcerans	mevalonate kinase, Erg12	0.0052	0.1143	0.2026
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0043	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0286	1	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0023	0.0043	0.0077
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0023	0.0043	0.0199
Mycobacterium tuberculosis	Probable galactokinase GalK (galactose kinase)	0.0171	0.5642	1
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.003	0.0282	0.0316
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0029	0.0246	0.0435
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0043	0.0043
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0043	0.0049
Onchocerca volvulus		0.0029	0.0246	0.1792
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0246	0.0246
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	1	1
Mycobacterium tuberculosis	Conserved protein	0.003	0.0282	0.0499
Trypanosoma brucei	unspecified product	0.0023	0.0043	0.0049
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0246	0.0276
Mycobacterium tuberculosis	Possible D-alpha-D-heptose-7-phosphate kinase HddA	0.0052	0.1143	0.2026
Echinococcus granulosus	Mevalonate galactokinase	0.0052	0.1143	0.1143
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0029	0.0246	0.0435
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0029	0.0246	0.2147
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0043	0.0049
Toxoplasma gondii	GHMP kinase, N-terminal domain-containing protein	0.008	0.2177	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0246	0.0246
Mycobacterium ulcerans	hypothetical protein	0.0029	0.0246	0.0435
Trypanosoma cruzi	fucose kinase, putative	0.003	0.0302	0.0339
Echinococcus granulosus	N acetylgalactosamine kinase	0.008	0.2177	0.2177
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0029	0.0246	0.0435
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0043	0.0077
Trypanosoma cruzi	galactokinase-like protein, putative	0.0149	0.4801	0.5387
Leishmania major	4-coumarate:coa ligase-like protein	0.0029	0.0246	0.0276
Trypanosoma cruzi	mevalonate kinase, putative	0.0052	0.1143	0.1283
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.003	0.0282	0.0499
Treponema pallidum	galactokinase	0.0149	0.4801	1
Trypanosoma cruzi	homoserine kinase	0.0052	0.1143	0.1283
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0043	0.0043
Chlamydia trachomatis	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	0.0022	0	0.5
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0043	0.0199
Leishmania major	homoserine kinase, putative	0.0052	0.1143	0.1283
Leishmania major	phosphomevalonate kinase protein, putative	0.0052	0.1143	0.1283
Trypanosoma brucei	galactokinase-like protein, putative	0.0113	0.3465	0.3888
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0246	0.0435
Schistosoma mansoni	hypothetical protein	0.0058	0.137	0.6292
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0029	0.0246	0.0361
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.003	0.0282	0.1294
Wolbachia endosymbiont of Brugia malayi	4-diphosphocytidyl-2-C-methyl-D-erythritol kinase	0.0052	0.1143	0.5
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0043	0.0043
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0043	0.0043
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0043	0.0043
Mycobacterium ulcerans	DNA polymerase IV	0.0023	0.0043	0.0077
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0043	0.0043
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0029	0.0246	0.2147
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0246	0.0435
Trypanosoma cruzi	galactokinase, putative	0.0171	0.5642	0.6331
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0246	0.0246
Trichomonas vaginalis	DNA polymerase eta, putative	0.0023	0.0043	0.0199
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0246	0.0246
Leishmania major	galactokinase-like protein	0.0171	0.5642	0.6331
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Leishmania major	DNA polymerase eta, putative	0.0023	0.0043	0.0049
Trypanosoma cruzi	hypothetical protein, conserved	0.0257	0.8912	1
Echinococcus multilocularis	galactokinase	0.0171	0.5642	0.5642
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1143	0.1143
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0043	0.0199
Echinococcus multilocularis	N acetylgalactosamine kinase	0.008	0.2177	0.2177
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0043	0.0199
Giardia lamblia	Mevalonate kinase	0.0052	0.1143	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0246	0.0435
Trypanosoma cruzi	fucose kinase, putative	0.003	0.0302	0.0339
Brugia malayi	mevalonate kinase family protein	0.0052	0.1143	0.1143
Trichomonas vaginalis	galactokinase, putative	0.008	0.2177	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0029	0.0246	0.0435
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Mycobacterium ulcerans	homoserine kinase	0.0052	0.1143	0.2026
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0043	0.0049
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.003	0.0282	0.0499
Brugia malayi	galactokinase family protein	0.008	0.2177	0.2177
Trypanosoma cruzi	galactokinase, putative	0.0149	0.4801	0.5387
Mycobacterium ulcerans	hypothetical protein	0.003	0.0282	0.0499
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0043	0.0043
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Schistosoma mansoni	mevalonate kinase	0.0052	0.1143	0.5252
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0043	0.0049
Echinococcus multilocularis	citrate lyase subunit beta protein	0.003	0.0282	0.0282
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.003	0.0282	0.0316
Echinococcus granulosus	citrate lyase subunit beta protein	0.003	0.0282	0.0282

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1622330

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1459193