TDR Targets

Basic information

Technical information

TDR Targets ID: 1059396
Name: 4-(3,5-dimethylphenyl)sulfanyl-5-(ethoxymethy l)-3-iodo-6-methyl-1H-pyridin-2-one
MW: 429.316 | Formula: C17H20INO2S
H donors: 1 H acceptors: 1 LogP: 3.33 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOCc1c(C)[nH]c(=O)c(c1Sc1cc(C)cc(c1)C)I
InChi: 1S/C17H20INO2S/c1-5-21-9-14-12(4)19-17(20)15(18)16(14)22-13-7-10(2)6-11(3)8-13/h6-8H,5,9H2,1-4H3,(H,19,20)
InChiKey: IZSUDYJJPJFXQG-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

4-[(3,5-dimethylphenyl)thio]-5-(ethoxymethyl)-3-iodo-6-methyl-1H-pyridin-2-one
4-[(3,5-dimethylphenyl)thio]-5-(ethoxymethyl)-3-iodo-6-methyl-2-pyridone

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
Mycobacterium tuberculosis	Probable aminotransferase	0.0153	0.2883	1
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0153	0.2883	1
Brugia malayi	MH2 domain containing protein	0.0033	0.0362	0.0316
Brugia malayi	4-aminobutyrate aminotransferase, mitochondrial precursor	0.0022	0.0116	0.0069
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0142	0.0428
Echinococcus granulosus	tar DNA binding protein	0.0064	0.0994	0.1356
Plasmodium falciparum	ornithine aminotransferase	0.0022	0.0116	1
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0022	0.0116	0.0337
Entamoeba histolytica	acyl-coA synthetase, putative	0.0023	0.0142	0.5
Brugia malayi	MH2 domain containing protein	0.0033	0.0362	0.0316
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0594	0.0738
Mycobacterium ulcerans	hypothetical protein	0.0153	0.2883	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.002	0.0069
Mycobacterium ulcerans	acetylornithine aminotransferase	0.0022	0.0116	0.0337
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0142	0.0428
Mycobacterium tuberculosis	Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at)	0.0022	0.0116	0.0404
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0994	0.0976
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0594	0.0575
Brugia malayi	Smad1	0.0033	0.0362	0.0316
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0033	0.0362	0.038
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0362	0.038
Onchocerca volvulus		0.0023	0.0142	0.5
Echinococcus granulosus	Smad4	0.0033	0.0362	0.038
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0994	0.1356
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0142	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0142	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.0492	1	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0142	0.0493
Brugia malayi	MH1 domain containing protein	0.0033	0.0362	0.0316
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0142	0.0428
Loa Loa (eye worm)	nuclear factor I	0.0019	0.0048	0.0028
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0594	0.0738
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0994	0.1356
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0142	0.0493
Echinococcus multilocularis	smad	0.0033	0.0362	0.038
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0153	0.2883	1
Echinococcus multilocularis	Smad4	0.0033	0.0362	0.038
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.0994	0.1356
Mycobacterium tuberculosis	Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase)	0.0022	0.0116	0.0404
Mycobacterium tuberculosis	Probable acetylornithine aminotransferase ArgD	0.0022	0.0116	0.0404
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0142	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0594	0.0738
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0033	0.0362	0.038
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0142	0.0095
Toxoplasma gondii	ornithine aminotransferase, mitochondrial precursor, putative	0.0022	0.0116	0.5
Mycobacterium ulcerans	4-aminobutyrate aminotransferase	0.0022	0.0116	0.0337
Brugia malayi	RNA binding protein	0.0064	0.0994	0.0951
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0594	0.0738
Chlamydia trachomatis	glutamate-1-semialdehyde-2,1-aminomutase	0.0022	0.0116	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0594	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0048	0.0028
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0142	0.0428
Echinococcus granulosus	smad	0.0033	0.0362	0.038
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0033	0.0362	0.038
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0142	0.0093
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0142	0.0095
Plasmodium vivax	ornithine aminotransferase, putative	0.0022	0.0116	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0142	0.0428
Mycobacterium ulcerans	ornithine aminotransferase RocD1 and RocD2	0.0022	0.0116	0.0337
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0142	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0142	0.0123
Loa Loa (eye worm)	transcription factor SMAD2	0.0492	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0142	0.0123
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0994	0.0951
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0033	0.0362	0.038
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0142	0.0428
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0594	0.0738
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0994	0.1356
Brugia malayi	MH1 domain containing protein	0.0033	0.0362	0.0316
Mycobacterium ulcerans	L-lysine aminotransferase	0.0022	0.0116	0.0337
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0142	0.0095
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0362	0.038
Mycobacterium ulcerans	glutamate-1-semialdehyde aminotransferase	0.0022	0.0116	0.0337
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0994	0.1356
Schistosoma mansoni	hypothetical protein	0.0329	0.6588	1
Schistosoma mansoni	hypothetical protein	0.0329	0.6588	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0142	0.0428
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0153	0.2883	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0023	0.0142	0.5
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0142	0.0123
Loa Loa (eye worm)	MH2 domain-containing protein	0.0033	0.0362	0.0343
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0994	0.0976
Echinococcus granulosus	mothers against decapentaplegic 5	0.0033	0.0362	0.038
Loa Loa (eye worm)	Smad1	0.0033	0.0362	0.0343
Loa Loa (eye worm)	MH1 domain-containing protein	0.0033	0.0362	0.0343
Schistosoma mansoni	smad	0.0033	0.0362	0.038
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0594	0.0738
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0362	0.038
Brugia malayi	TAR-binding protein	0.0064	0.0994	0.0951
Echinococcus granulosus	geminin	0.0329	0.6588	1
Echinococcus multilocularis	geminin	0.0329	0.6588	1
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0994	0.0976
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0594	0.0549
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0994	0.1356
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0142	0.0428
Schistosoma mansoni	Smad4	0.0033	0.0362	0.038
Mycobacterium tuberculosis	Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase)	0.0022	0.0116	0.0404
Wolbachia endosymbiont of Brugia malayi	acetylornithine transaminase protein	0.0022	0.0116	0.5
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0142	0.0093
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0153	0.2883	0.5

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: CHEMBL565703

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1059396