TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 320.407 | Formula: C16H20N2O3S
H donors: 0 H acceptors: 2 LogP: 3.54 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1ccc2c(c1)s/c(=N/C(=O)C(C)(C)C)/n2C
InChi: 1S/C16H20N2O3S/c1-6-21-13(19)10-7-8-11-12(9-10)22-15(18(11)5)17-14(20)16(2,3)4/h7-9H,6H2,1-5H3/b17-15+
InChiKey: VWBVSJRCYUJFKI-BMRADRMJSA-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

No synonyms found for this compound

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
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.1144	0.5413
Brugia malayi	TAR-binding protein	0.0127	0.3748	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0578	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.008	0.2114	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0025	0.0214	0.0634
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0175	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0578	0.0483
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1001	0.091
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.008	0.2114	1
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0949	0.0949
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0949	0.2809
Schistosoma mansoni	hypothetical protein	0.0035	0.0578	0.0483
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1001	0.091
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.008	0.2114	1
Echinococcus multilocularis	tar DNA binding protein	0.0127	0.3748	0.3685
Echinococcus granulosus	peptidase Clp S14 family	0.0052	0.1167	0.1078
Loa Loa (eye worm)	RNA binding protein	0.0127	0.3748	0.3748
Entamoeba histolytica	hypothetical protein	0.0035	0.0578	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0578	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.008	0.2114	1
Entamoeba histolytica	hypothetical protein	0.0023	0.0175	0.1561
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0214	0.1013
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.008	0.2114	0.5
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0949	0.0949
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1112	0.1112
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.1112	0.2774
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0363	0.0266
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0949	0.4488
Schistosoma mansoni	hypothetical protein	0.0023	0.0164	0.0064
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0175	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0363	0.252
Trypanosoma brucei	trypanothione reductase	0.0046	0.0949	0.8127
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0214	0.0312
Schistosoma mansoni	importin beta-1	0.0029	0.0363	0.0266
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.1144	0.5184
Brugia malayi	glutathione reductase	0.0046	0.0949	0.2325
Toxoplasma gondii	hypothetical protein	0.0027	0.0313	0.1059
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0578	0.0483
Brugia malayi	RNA binding protein	0.0127	0.3748	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0214	0.109
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1001	0.091
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0175	0.0715
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0052	0.1167	0.1078
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0164	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0035	0.056	0.056
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0949	0.4488
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0116	0.3377	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0127	0.3748	0.3748
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0105	0.2974	0.8727
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.1112	0.1112
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.01	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.056	0.126
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0052	0.1167	0.3457
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.1144	1
Schistosoma mansoni	hypothetical protein	0.0308	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0214	0.0214
Brugia malayi	RNA recognition motif domain containing protein	0.0127	0.3748	1
Onchocerca volvulus		0.0025	0.0214	0.5
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0949	0.8127
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.2974	0.8808
Brugia malayi	Importin beta-1 subunit	0.0029	0.0363	0.0721
Loa Loa (eye worm)	TAR-binding protein	0.0127	0.3748	0.3748
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0949	0.4213
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.1144	0.5413
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.008	0.2114	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1001	0.091
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.2974	0.8808
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.2974	0.8808
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0052	0.1167	0.3457
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0025	0.0214	0.1013
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.1144	0.5413
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.01	0.01
Mycobacterium ulcerans	hypothetical protein	0.0025	0.0214	0.1013
Plasmodium falciparum	importin beta, putative	0.0029	0.0363	0.1719
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1001	0.091
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1001	0.2469
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1144	0.1144
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0214	0.0312
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0214	0.1013
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0214	0.0214
Brugia malayi	hypothetical protein	0.0033	0.0514	0.1135
Mycobacterium tuberculosis	Probable reductase	0.0105	0.2974	0.8808
Brugia malayi	hypothetical protein	0.0035	0.0578	0.131
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1001	0.091
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.008	0.2114	0.6006
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.0313	0.1483
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0175	0.0715
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0027	0.0313	0.1483
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0052	0.1167	0.3014
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0363	0.0363
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0025	0.0214	0.0634
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0025	0.0214	0.1013
Mycobacterium tuberculosis	Probable oxidoreductase	0.0116	0.3377	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.008	0.2114	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0308	1	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0025	0.0214	0.1013
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0214	0.2381
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0116	0.3377	1
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0363	0.1719
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0214	0.109
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.008	0.2114	0.2034
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0214	0.0214
Schistosoma mansoni	peptidase Clp (S14 family)	0.008	0.2114	0.2034
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0578	0.0483
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0027	0.0313	0.0314
Schistosoma mansoni	hypothetical protein	0.0035	0.056	0.0464
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.008	0.2114	1
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.01	0.0475
Brugia malayi	Thioredoxin reductase	0.0046	0.0949	0.2325
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0363	0.1306
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.3748	0.3685
Brugia malayi	RNA, U transporter 1	0.0082	0.22	0.5755
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.2974	0.8808
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.2974	0.8808
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0164	0.0064
Echinococcus granulosus	tar DNA binding protein	0.0127	0.3748	0.3685
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0949	0.0857
Plasmodium falciparum	glutathione reductase	0.0046	0.0949	0.4488
Leishmania major	hypothetical protein, conserved	0.0051	0.1144	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.1144	1
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.01	0.0475
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.3748	0.3685
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.3748	0.3685
Loa Loa (eye worm)	hypothetical protein	0.008	0.2114	0.2114
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1001	0.1001
Brugia malayi	AMP-binding enzyme family protein	0.0025	0.0214	0.0312
Echinococcus multilocularis	snurportin 1	0.0308	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1001	0.091
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.1112	0.2774
Entamoeba histolytica	hypothetical protein	0.0035	0.0578	1
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0363	0.0266
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0949	0.4488
Entamoeba histolytica	acyl-coA synthetase, putative	0.0025	0.0214	0.2381
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.008	0.2114	0.2034
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.008	0.2114	1
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.3748	0.3685
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0116	0.3377	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.008	0.2114	1
Schistosoma mansoni	tar DNA-binding protein	0.0127	0.3748	0.3685
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0363	0.252
Brugia malayi	Probable ClpP-like protease	0.008	0.2114	0.5519
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0175	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0025	0.0214	0.1013
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0025	0.0214	0.1013
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0025	0.0214	0.2381
Brugia malayi	hypothetical protein	0.0051	0.1144	0.2861
Leishmania major	4-coumarate:coa ligase-like protein	0.0025	0.0214	0.109
Leishmania major	trypanothione reductase	0.0046	0.0949	0.8127
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.1144	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0949	0.0857

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 619729