TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 409.458 | Formula: C21H19N3O4S
H donors: 1 H acceptors: 4 LogP: 4.08 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)CSc1nc2c3ccccc3nc2c(n1c1cccc(c1)OC)O
InChi: 1S/C21H19N3O4S/c1-3-28-17(25)12-29-21-23-18-15-9-4-5-10-16(15)22-19(18)20(26)24(21)13-7-6-8-14(11-13)27-2/h4-11,26H,3,12H2,1-2H3
InChiKey: HIDCMDOEMAEEMJ-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
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.301	0.301
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0179	0.0179
Echinococcus granulosus	tar DNA binding protein	0.0128	0.8317	0.8317
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0322	0.0322
Loa Loa (eye worm)	hypothetical protein	0.001	0.0322	0.0322
Loa Loa (eye worm)	hypothetical protein	0.001	0.0322	0.0322
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.0322	0.5
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0179	0.0215
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0322	0.0322
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.7561	0.7561
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0322	0.0322
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0322	0.0322
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.3745	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0706	0.0706
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.8317	1
Echinococcus granulosus	GPCR family 2	0.0016	0.0706	0.0706
Echinococcus granulosus	Smad4	0.0008	0.0179	0.0179
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0322	0.0388
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.0322	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0322	0.0322
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.3745	0.3745
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.3745	0.5
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0322	0.0388
Brugia malayi	MH2 domain containing protein	0.0008	0.0179	0.0179
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.8317	1
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0322	0.0388
Schistosoma mansoni	hypothetical protein	0.0016	0.0706	0.0848
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0322	0.0388
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0706	0.0706
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0322	0.0322
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0179	0.0215
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0322	0.0322
Schistosoma mansoni	hypothetical protein	0.0016	0.0706	0.0848
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0322	0.0388
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0179	0.0215
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0322	0.0322
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0322	0.0322
Brugia malayi	steroid hormone receptor	0.001	0.0322	0.0322
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.3745	0.4503
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0322	0.0322
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0322	0.0388
Brugia malayi	MH1 domain containing protein	0.0008	0.0179	0.0179
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.3745	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0322	0.0322
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0322	0.0322
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0322	0.0388
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0179	0.0179
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0706	0.0706
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0706	0.0706
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0322	0.0322
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0322	0.0322
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0128	0.8317	0.8317
Echinococcus granulosus	smad	0.0008	0.0179	0.0179
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0322	0.0322
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0706	0.0706
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.3745	0.5
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0179	0.0179
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0322	0.0322
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.301	0.301
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0322	0.0322
Schistosoma mansoni	hypothetical protein	0.0034	0.1944	0.2337
Brugia malayi	TAR-binding protein	0.0128	0.8317	0.8317
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0322	0.0322
Loa Loa (eye worm)	hypothetical protein	0.001	0.0322	0.0322
Echinococcus multilocularis	muscleblind protein	0.0153	1	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0706	0.0848
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0322	0.0322
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0706	0.0706
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0322	0.0322
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0322	0.0322
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1944	0.1944
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.8317	1
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0179	0.0179
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0322	0.0322
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.3745	0.5
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.3745	0.3745
Schistosoma mansoni	hypothetical protein	0.0016	0.0706	0.0848
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.8317	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0322	0.0322
Loa Loa (eye worm)	hypothetical protein	0.001	0.0322	0.0322
Brugia malayi	ecdysteroid receptor	0.001	0.0322	0.0322
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0179	0.0215
Brugia malayi	MH2 domain containing protein	0.0117	0.7561	0.7561
Schistosoma mansoni	Smad4	0.0008	0.0179	0.0215
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0322	0.0322
Echinococcus multilocularis	Smad4	0.0008	0.0179	0.0179
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0322	0.0322
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.3745	0.4503
Echinococcus granulosus	muscleblind protein	0.0153	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0322	0.0322
Brugia malayi	nuclear hormone receptor	0.001	0.0322	0.0322
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0322	0.0322
Echinococcus multilocularis	muscleblind protein 1	0.0153	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0322	0.0388
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0322	0.0322
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0322	0.0322
Brugia malayi	Smad1	0.0008	0.0179	0.0179
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0179	0.0179
Loa Loa (eye worm)	hypothetical protein	0.0153	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0322	0.0322
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0322	0.0388
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0322	0.0322
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.7561	0.7561
Echinococcus multilocularis	smad	0.0008	0.0179	0.0179
Loa Loa (eye worm)	hypothetical protein	0.001	0.0322	0.0322
Brugia malayi	MH1 domain containing protein	0.0008	0.0179	0.0179
Brugia malayi	MH2 domain containing protein	0.0008	0.0179	0.0179
Loa Loa (eye worm)	hypothetical protein	0.001	0.0322	0.0322
Brugia malayi	nuclear receptor NHR-88	0.001	0.0322	0.0322
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.1944	0.1944
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0322	0.0388
Loa Loa (eye worm)	TAR-binding protein	0.0128	0.8317	0.8317
Brugia malayi	RNA recognition motif domain containing protein	0.0128	0.8317	0.8317
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0322	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0706	0.0706
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0322	0.0322
Loa Loa (eye worm)	RNA binding protein	0.0128	0.8317	0.8317
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0322	0.0322
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0706	0.0706
Schistosoma mansoni	coup transcription factor	0.001	0.0322	0.0388
Loa Loa (eye worm)	hypothetical protein	0.0153	1	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.3745	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0322	0.0322
Loa Loa (eye worm)	Smad1	0.0008	0.0179	0.0179
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0322	0.0322
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.301	0.301
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0322	0.0322
Loa Loa (eye worm)	hypothetical protein	0.001	0.0322	0.0322
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0322	0.0388
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0322	0.0322
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0322	0.0322
Schistosoma mansoni	smad	0.0008	0.0179	0.0215
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0322	0.0322
Loa Loa (eye worm)	hypothetical protein	0.001	0.0322	0.0322
Echinococcus multilocularis	tar DNA binding protein	0.0128	0.8317	0.8317
Brugia malayi	RNA binding protein	0.0128	0.8317	0.8317
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.0322	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0128	0.8317	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0179	0.0179
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0322	0.0322
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0706	0.0706
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0322	0.0322
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0322	0.0322
Onchocerca volvulus		0.001	0.0322	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.301	0.301

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 623351