TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 346.401 | Formula: C17H18N2O4S
H donors: 2 H acceptors: 3 LogP: 2.2 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Oc1nccc(c1)O[C@@H]1c2cc(ccc2OC([C@H]1O)(C)C)C(=N)S
InChi: 1S/C17H18N2O4S/c1-17(2)15(21)14(22-10-5-6-19-13(20)8-10)11-7-9(16(18)24)3-4-12(11)23-17/h3-8,14-15,21H,1-2H3,(H2,18,24)(H,19,20)/t14-,15+/m1/s1
InChiKey: GKXZITARLRLHLZ-CABCVRRESA-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
Brugia malayi	hypothetical protein	0.0057	0.0046	0.0046
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0107	0.0429	0.0429
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0107	0.0429	0.0429
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0107	0.0429	0.0918
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0107	0.0429	0.0446
Loa Loa (eye worm)	hypothetical protein	0.1316	0.9571	0.9952
Echinococcus multilocularis	ecdysone induced protein 78C	0.0107	0.0429	0.0782
Loa Loa (eye worm)	steroid hormone receptor	0.0107	0.0429	0.0446
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0107	0.0429	0.0429
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0107	0.0429	0.0782
Brugia malayi	nuclear hormone receptor	0.0107	0.0429	0.0429
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0107	0.0429	0.0446
Schistosoma mansoni	thyroid hormone receptor	0.0775	0.5482	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.1322	0.9617	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0107	0.0429	0.0918
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0107	0.0429	0.0782
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0107	0.0429	0.0782
Onchocerca volvulus	Protein ultraspiracle homolog	0.0107	0.0429	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0429	0.0446
Echinococcus granulosus	tar DNA binding protein	0.0067	0.0127	0.0273
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0046	0.0048
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.0127	0.0132
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0127	0.0232
Brugia malayi	hypothetical protein	0.0057	0.0046	0.0046
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0107	0.0429	0.0446
Schistosoma mansoni	thyroid hormone receptor	0.0775	0.5482	1
Brugia malayi	nuclear receptor NHR-88	0.0107	0.0429	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0429	0.0446
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0107	0.0429	0.0782
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0107	0.0429	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0046	0.0048
Brugia malayi	photoreceptor-specific nuclear receptor	0.0107	0.0429	0.0429
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0107	0.0429	0.0782
Loa Loa (eye worm)	RNA binding protein	0.0067	0.0127	0.0132
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0668	0.4671	0.852
Echinococcus multilocularis	FTZ F1 alpha	0.0107	0.0429	0.0782
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0107	0.0429	0.0429
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.0127	0.0132
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0107	0.0429	0.0446
Brugia malayi	RNA binding protein	0.0067	0.0127	0.0127
Onchocerca volvulus		0.0107	0.0429	1
Brugia malayi	TAR-binding protein	0.0067	0.0127	0.0127
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0107	0.0429	0.0918
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0107	0.0429	0.0782
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0107	0.0429	0.0446
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0127	0.0232
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0057	0.0046	0.0084
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0107	0.0429	0.0429
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0107	0.0429	0.0918
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0107	0.0429	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0429	0.0446
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0057	0.0046	0.0084
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0057	0.0046	0.0098
Schistosoma mansoni	RAR-like nuclear receptor	0.0107	0.0429	0.0782
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0107	0.0429	0.0446
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0107	0.0429	0.0429
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0668	0.4671	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0107	0.0429	0.0429
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0107	0.0429	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0429	0.0446
Echinococcus granulosus	ecdysone induced protein 78C	0.0107	0.0429	0.0918
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0107	0.0429	0.0918
Brugia malayi	Nuclear hormone receptor-like 1	0.1322	0.9617	0.9617
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0107	0.0429	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0429	0.0446
Brugia malayi	nuclear receptor RXR	0.0057	0.0046	0.0046
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0107	0.0429	0.0782
Schistosoma mansoni	hypothetical protein	0.0668	0.4671	0.852
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.0127	0.0232
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0107	0.0429	0.0446
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0107	0.0429	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0429	0.0446
Onchocerca volvulus	Bile acid receptor homolog	0.0107	0.0429	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0429	0.0446
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0107	0.0429	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0429	0.0446
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0107	0.0429	0.0782
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0107	0.0429	0.0782
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0107	0.0429	1
Brugia malayi	ecdysteroid receptor	0.0107	0.0429	0.0429
Schistosoma mansoni	nuclear hormone receptor	0.0107	0.0429	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0046	0.0048
Echinococcus granulosus	FTZ F1 alpha	0.0107	0.0429	0.0918
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0127	0.0232
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0107	0.0429	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0046	0.0048
Schistosoma mansoni	coup transcription factor	0.0107	0.0429	0.0782
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0107	0.0429	0.0429
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0107	0.0429	0.0429
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0775	0.5482	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0046	0.0048
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0107	0.0429	0.0429
Brugia malayi	Nuclear hormone receptor-like 1	0.1322	0.9617	0.9617
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0057	0.0046	0.0084
Brugia malayi	steroid hormone receptor	0.0107	0.0429	0.0429
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0127	0.0232
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0107	0.0429	0.0782
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0127	0.0232
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0107	0.0429	0.0918
Schistosoma mansoni	retinoic acid receptor RXR	0.0107	0.0429	0.0782
Brugia malayi	Steroid receptor seven-up type 2	0.0107	0.0429	0.0429
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.0127	0.0127

Activities

Activity type	Activity value	Assay description	Source	Reference
BP (functional)	NA 0 mmHg	Antihypertensive activity measured by maximum fall in the mean blood pressure after an oral administration of 1 mg/kg in spontaneously hypertensive rats; NS= Did not lower the blood pressure significantly	ChEMBL.	2213828

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 155747