TDR Targets

Basic information

Technical information

TDR Targets ID: 848298
Name: ZINC02951108
MW: 462.584 | Formula: C25H22N2O3S2
H donors: 0 H acceptors: 2 LogP: 6 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)CSc1nc2sc3c(c2c(=O)n1c1ccccc1C)CCc1c3cccc1
InChi: 1S/C25H22N2O3S2/c1-3-30-20(28)14-31-25-26-23-21(24(29)27(25)19-11-7-4-8-15(19)2)18-13-12-16-9-5-6-10-17(16)22(18)32-23/h4-11H,3,12-14H2,1-2H3
InChiKey: BVZINRKUTNIFEQ-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

CBMicro_017870
BIM-0017858.P001
Oprea1_441009

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
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0079	0.2899	1
Schistosoma mansoni	hypothetical protein	0.018	0.8507	1
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0097	0.3914	0.377
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0066	0.2162	0.7459
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0591
Plasmodium falciparum	kinesin-5	0.0027	0	0.5
Brugia malayi	nuclear receptor NHR-88	0.0031	0.0231	0.0798
Schistosoma mansoni	nuclear receptor	0.0031	0.0231	0.0272
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0072	0.2486	0.8575
Brugia malayi	nuclear receptor RXR	0.0035	0.0438	0.1511
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0066	0.2162	0.1977
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2162	0.5525
Echinococcus multilocularis	FTZ F1 alpha	0.0066	0.2162	0.1977
Loa Loa (eye worm)	hypothetical protein	0.0097	0.3914	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0961	0.0747
Brugia malayi	hypothetical protein	0.0035	0.0438	0.1511
Brugia malayi	nuclear receptor NHR-88	0.0066	0.2162	0.7459
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0066	0.2162	0.2542
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0066	0.2162	0.2542
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0961	0.2455
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0097	0.3914	0.377
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0066	0.2162	0.2542
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0961	0.3315
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2162	0.5525
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0066	0.2162	0.1977
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0961	0.113
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0066	0.2162	0.1977
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2162	0.5525
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0066	0.2162	0.7459
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0031	0.0231	0.0272
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0031	0.0231	0.0591
Onchocerca volvulus	Protein ultraspiracle homolog	0.0066	0.2162	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0066	0.2162	0.5525
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0066	0.2186	0.2001
Loa Loa (eye worm)	steroid hormone receptor	0.0066	0.2162	0.5525
Schistosoma mansoni	thyroid hormone receptor	0.0066	0.2162	0.2542
Schistosoma mansoni	metabotropic glutamate receptor	0.0039	0.0648	0.0761
Brugia malayi	nuclear receptor NHR-67	0.0031	0.0231	0.0798
Brugia malayi	hypothetical protein	0.0031	0.0231	0.0798
Schistosoma mansoni	nuclear receptor nhr-48	0.0031	0.0231	0.0272
Brugia malayi	hypothetical protein	0.0031	0.0231	0.0798
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.009	0.3501	0.4115
Toxoplasma gondii	kinesin motor domain-containing protein	0.0027	0	0.5
Loa Loa (eye worm)	glutamate receptor	0.0031	0.0235	0.06
Brugia malayi	orphan nuclear receptor NR2E1	0.0031	0.0231	0.0798
Brugia malayi	nuclear hormone receptor	0.0066	0.2162	0.7459
Brugia malayi	steroid hormone receptor	0.0066	0.2162	0.7459
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0066	0.2162	0.7459
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2162	0.5525
Brugia malayi	Steroid receptor seven-up type 2	0.0066	0.2162	0.7459
Brugia malayi	Nuclear hormone receptor-like 1	0.0066	0.2162	0.7459
Schistosoma mansoni	RAR-like nuclear receptor	0.0066	0.2162	0.2542
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0066	0.2162	0.5525
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2162	0.5525
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0066	0.2162	0.1977
Entamoeba histolytica	kinesin, putative	0.0027	0	0.5
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0066	0.2162	0.1977
Echinococcus multilocularis	kinesin family 1	0.0207	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0066	0.2162	0.1977
Brugia malayi	photoreceptor-specific nuclear receptor	0.0066	0.2162	0.7459
Schistosoma mansoni	coup transcription factor	0.0066	0.2162	0.2542
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0591
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0066	0.2162	0.1977
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0066	0.2162	0.1977
Brugia malayi	nuclear hormone receptor family member odr-7	0.0031	0.0231	0.0798
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0591
Schistosoma mansoni	thyroid hormone receptor	0.0066	0.2162	0.2542
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0066	0.2162	0.7459
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0066	0.2186	0.2001
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0438	0.1119
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0066	0.2162	0.2542
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0066	0.2162	0.7459
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0066	0.2162	0.7459
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0591
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0031	0.0231	0.0272
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0035	0.0438	0.1119
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0591
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2162	0.5525
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2162	0.5525
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0031	0.0231	0.0798
Schistosoma mansoni	nuclear hormone receptor	0.0066	0.2162	0.2542
Onchocerca volvulus		0.0066	0.2162	1
Brugia malayi	ecdysone receptor	0.0031	0.0231	0.0798
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0066	0.2162	0.5525
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0591
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0438	0.1119
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0066	0.2162	0.2542
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0961	0.0747
Onchocerca volvulus	Bile acid receptor homolog	0.0066	0.2162	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0066	0.2162	0.7459
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0031	0.0231	0.0798
Schistosoma mansoni	zinc finger protein	0.0031	0.0231	0.0272
Brugia malayi	ecdysteroid receptor	0.0066	0.2162	0.7459
Loa Loa (eye worm)	nuclear hormone receptor	0.0031	0.0231	0.0591
Brugia malayi	Nuclear hormone receptor-like 1	0.0035	0.0438	0.1511
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0066	0.2162	0.7459
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0066	0.2162	0.1977
Brugia malayi	conserved hypotetical protein	0.0031	0.0231	0.0798
Brugia malayi	hypothetical protein	0.0035	0.0438	0.1511
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0066	0.2162	0.7459
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0961	0.113
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0591
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0066	0.2162	0.1977
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0438	0.1119
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0438	0.1119
Loa Loa (eye worm)	glutamate receptor	0.0079	0.2899	0.7407
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0066	0.2162	0.5525
Schistosoma mansoni	nuclear receptor	0.0031	0.0231	0.0272
Brugia malayi	Nuclear hormone receptor E75	0.0031	0.0231	0.0798
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0066	0.2162	0.5525
Schistosoma mansoni	metabotropic glutamate receptor	0.0066	0.2186	0.257
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0591
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0035	0.0438	0.0515
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0066	0.2162	0.7459
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0066	0.2162	0.5525
Loa Loa (eye worm)	hypothetical protein	0.0066	0.2162	0.5525
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0591
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0961	0.0747
Schistosoma mansoni	nuclear hormone receptor	0.0031	0.0231	0.0272
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0066	0.2162	0.1977
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0066	0.2162	0.1977
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0035	0.0438	0.0212
Brugia malayi	Nuclear hormone receptor E75	0.0031	0.0231	0.0798
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0066	0.2162	0.1977
Schistosoma mansoni	nuclear hormone receptor	0.0031	0.0231	0.0272
Brugia malayi	Nuclear hormone receptor-like 1	0.0035	0.0438	0.1511
Plasmodium vivax	kinesin-5	0.0027	0	0.5
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0031	0.0231	0.0591
Giardia lamblia	Kinesin-5	0.0027	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0591
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0066	0.2162	0.1977
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0591
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0035	0.0438	0.0515
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0961	0.0747
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0066	0.2162	0.5525
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0066	0.2162	0.7459
Schistosoma mansoni	retinoic acid receptor RXR	0.0066	0.2162	0.2542
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0591
Loa Loa (eye worm)	DR-78	0.0031	0.0231	0.0591
Brugia malayi	nuclear receptor RXR	0.0031	0.0231	0.0798
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0066	0.2162	0.7459
Brugia malayi	nuclear hormone receptor	0.0031	0.0231	0.0798
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0066	0.2162	0.1977
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0231	0.0591
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0066	0.2162	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0066	0.2162	0.1977
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0438	0.1119
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0066	0.2162	0.2542
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0035	0.0438	0.0212
Brugia malayi	tailless protein	0.0031	0.0231	0.0798
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0066	0.2162	0.2542
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0961	0.113
Echinococcus granulosus	FTZ F1 alpha	0.0066	0.2162	0.1977
Brugia malayi	metabotropic glutamate receptor type 2	0.0039	0.0648	0.2234
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0066	0.2162	0.7459

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 848298