TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 313.328 | Formula: C16H11NO4S
H donors: 0 H acceptors: 3 LogP: 2.75 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccccc1SN1C(=O)C(=O)c2c1cccc2
InChi: 1S/C16H11NO4S/c1-21-16(20)11-7-3-5-9-13(11)22-17-12-8-4-2-6-10(12)14(18)15(17)19/h2-9H,1H3
InChiKey: VCKGJHXUMKMHPD-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

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
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0822	0.1211	0.1211
Trichomonas vaginalis	glucosylceramidase, putative	0.0371	0.0532	0.6811
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.001	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0128	0.0166	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0047	0.0047
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.001	0.1333
Echinococcus granulosus	transcription factor Dp 1	0.0039	0.0032	0.0312
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0073	0.0083	0.1064
Entamoeba histolytica	hypothetical protein	0.0036	0.0029	0.29
Schistosoma mansoni	hypothetical protein	0.0036	0.0029	0.0029
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0109	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0028	0.0353
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.0054	0.0686
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0109	0.0138	0.0138
Brugia malayi	Melibiase family protein	0.0073	0.0083	0.1064
Trichomonas vaginalis	glucosylceramidase, putative	0.0371	0.0532	0.6811
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.0029	0.29
Trichomonas vaginalis	glucosylceramidase, putative	0.0537	0.0782	1
Echinococcus multilocularis	microtubule associated protein 2	0.0699	0.1027	0.1027
Mycobacterium tuberculosis	Probable reductase	0.0115	0.0147	0.8837
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0047	0.0602
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0073	0.0083	0.0083
Trichomonas vaginalis	glucosylceramidase, putative	0.0352	0.0504	0.6446
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.001	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0115	0.0147	0.8837
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0001	0.0047
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.001	0.0598
Trichomonas vaginalis	glucosylceramidase, putative	0.0352	0.0504	0.6446
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.001	1
Schistosoma mansoni	microtubule-associated protein tau	0.0699	0.1027	0.1027
Trypanosoma brucei	trypanothione reductase	0.005	0.005	0.6647
Leishmania major	trypanothione reductase	0.005	0.005	0.6647
Trichomonas vaginalis	glucosylceramidase, putative	0.0537	0.0782	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.001	0.0117
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0067	0.0074	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0018	0.0001	0.0785
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0047	0.0047
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.005	0.6647
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0029	0.0029
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0115	0.0147	0.8837
Trichomonas vaginalis	glucosylceramidase, putative	0.0537	0.0782	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0115	0.0147	0.8763
Mycobacterium ulcerans	hypothetical protein	0.0024	0.001	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0128	0.0166	1
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0017	0	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0352	0.0504	0.6446
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0073	0.0083	0.0083
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0067	0.0074	0.0725
Trichomonas vaginalis	glucosylceramidase, putative	0.0352	0.0504	0.6446
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0047	0.0047
Mycobacterium tuberculosis	Probable dehydrogenase	0.0115	0.0147	0.8837
Echinococcus granulosus	microtubule associated protein 2	0.0699	0.1027	1
Brugia malayi	glutathione reductase	0.005	0.005	0.0633
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0029	0.0029
Trichomonas vaginalis	glucosylceramidase, putative	0.0352	0.0504	0.6446
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.001	0.1333
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0067	0.0074	0.0944
Plasmodium vivax	acyl-CoA synthetase, putative	0.0018	0.0001	0.0157
Treponema pallidum	NADH oxidase	0.0017	0	0.5
Entamoeba histolytica	hypothetical protein	0.0036	0.0029	0.29
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0074	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0128	0.0166	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0047	0.0458
Trichomonas vaginalis	glucosylceramidase, putative	0.0537	0.0782	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0109	0.0138	0.0138
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0001	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.001	0.0127
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0537	0.0782	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.005	0.005
Trichomonas vaginalis	glucosylceramidase, putative	0.0352	0.0504	0.6446
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0083	0.1055
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0537	0.0782	1
Schistosoma mansoni	hypothetical protein	0.0036	0.0028	0.0028
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0109	0.0138	0.0138
Loa Loa (eye worm)	hypothetical protein	0.0024	0.001	0.0117
Brugia malayi	hypothetical protein	0.0036	0.0029	0.0366
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.005	0.0482
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.001	0.0127
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0109	0.0138	0.0138
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.001	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0017	0	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.0054	0.0686
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0074	1
Plasmodium falciparum	thioredoxin reductase	0.005	0.005	1
Onchocerca volvulus	Glucosylceramidase homolog	0.0352	0.0504	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0067	0.0074	0.0074
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0128	0.0166	1
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.005	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0028	0.0363
Plasmodium falciparum	acyl-CoA synthetase	0.0018	0.0001	0.0157
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.001	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.005	0.2985
Toxoplasma gondii	thioredoxin reductase	0.005	0.005	0.3591
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0067	0.0074	1
Echinococcus multilocularis	transcription factor Dp 1	0.0039	0.0032	0.0032
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.0054	0.0677
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0047	0.0592
Leishmania major	4-coumarate:coa ligase-like protein	0.0024	0.001	0.1333
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0115	0.0147	0.8837
Trichomonas vaginalis	glucosylceramidase, putative	0.0352	0.0504	0.6446
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.001	1
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0067	0.0074	0.0953
Entamoeba histolytica	hypothetical protein	0.0036	0.0029	0.29
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.001	0.0598
Loa Loa (eye worm)	hypothetical protein	0.0024	0.001	0.0117
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0115	0.0147	0.8837
Trichomonas vaginalis	glucosylceramidase, putative	0.0537	0.0782	1
Loa Loa (eye worm)	glutathione reductase	0.005	0.005	0.0624
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.001	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0029	0.0279
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0047	0.0047
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0054	0.0677
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0067	0.0074	0.0074
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0109	0.0138	0.1343
Plasmodium vivax	glutathione reductase, putative	0.005	0.005	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0047	0.0458
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0109	0.0138	0.0138
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0067	0.0074	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0047	0.0047
Schistosoma mansoni	notum	0.6659	1	1
Toxoplasma gondii	melibiase subfamily protein	0.0109	0.0138	1
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.005	0.0624
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.001	0.0127
Trichomonas vaginalis	glucosylceramidase, putative	0.0537	0.0782	1
Brugia malayi	Thioredoxin reductase	0.005	0.005	0.0633
Plasmodium falciparum	glutathione reductase	0.005	0.005	1

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: CHEMBL2313621

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 1736912