TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 256.323 | Formula: C14H12N2OS
H donors: 0 H acceptors: 2 LogP: 3.4 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc2c(c1)oc(n2)SCc1cccnc1
InChi: 1S/C14H12N2OS/c1-10-4-5-12-13(7-10)17-14(16-12)18-9-11-3-2-6-15-8-11/h2-8H,9H2,1H3
InChiKey: PDPRIHNLFGZDMC-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)	hypothetical protein	0.0029	0.1288	0.4591
Schistosoma mansoni	retinoic acid receptor RXR	0.0029	0.1288	0.3111
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0898	0.0438
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0029	0.1288	0.4591
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0029	0.1288	0.4591
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0029	0.1288	0.3111
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0029	0.1288	0.3111
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2805	0.6775
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0029	0.1288	0.3111
Brugia malayi	nuclear hormone receptor	0.0029	0.1288	0.4591
Echinococcus granulosus	ecdysone induced protein 78C	0.0029	0.1288	0.3111
Onchocerca volvulus		0.0029	0.1288	0.5
Schistosoma mansoni	phosphoglycerate mutase	0.0021	0.0516	0.1247
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.2805	0.6775
Schistosoma mansoni	thyroid hormone receptor	0.0029	0.1288	0.3111
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0029	0.1288	0.3111
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0029	0.1288	0.4591
Echinococcus multilocularis	ecdysone induced protein 78C	0.0029	0.1288	0.3111
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.006	0.4141	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0029	0.1288	0.4591
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0898	0.0403
Onchocerca volvulus	Bile acid receptor homolog	0.0029	0.1288	0.5
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.006	0.4141	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0029	0.1288	0.4591
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0029	0.1288	0.4591
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0123	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0029	0.1288	0.3111
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0029	0.1288	0.4591
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1288	0.4591
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0029	0.1288	0.5
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0029	0.1288	0.3111
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0029	0.1288	0.4591
Schistosoma mansoni	RAR-like nuclear receptor	0.0029	0.1288	0.3111
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.2805	1
Schistosoma mansoni	coup transcription factor	0.0029	0.1288	0.3111
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0029	0.1288	0.3111
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.2805	0.6775
Echinococcus granulosus	FTZ F1 alpha	0.0029	0.1288	0.3111
Echinococcus granulosus	phosphoglycerate mutase	0.0021	0.0516	0.1247
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1288	0.4591
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0029	0.1288	0.4591
Entamoeba histolytica	DNA repair and recombination protein, putative	0.006	0.4141	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1288	0.4591
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0898	0.0403
Mycobacterium ulcerans	phosphoglyceromutase	0.0021	0.0516	0.5
Brugia malayi	nuclear receptor NHR-88	0.0029	0.1288	0.4591
Treponema pallidum	phosphoglyceromutase	0.0021	0.0516	0.5
Echinococcus multilocularis	phosphoglycerate mutase	0.0021	0.0516	0.1247
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2805	0.6775
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0898	0.0403
Schistosoma mansoni	thyroid hormone receptor	0.0029	0.1288	0.3111
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.006	0.4141	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0029	0.1288	0.4591
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0029	0.1288	0.3111
Mycobacterium tuberculosis	Probable phosphoglycerate mutase 1 Gpm1 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.002	0.0403	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0029	0.1288	0.3111
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0021	0.0516	0.5
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.006	0.4141	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0029	0.1288	0.3111
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0029	0.1288	0.3111
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0029	0.1288	0.4591
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.006	0.4141	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.2805	0.6775
Echinococcus granulosus	phosphoglycerate mutase	0.0021	0.0516	0.1247
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.006	0.4141	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0029	0.1288	0.3111
Brugia malayi	photoreceptor-specific nuclear receptor	0.0029	0.1288	0.4591
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1288	0.4591
Giardia lamblia	Rrm3p helicase	0.006	0.4141	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0029	0.1288	0.3111
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1288	0.4591
Entamoeba histolytica	hypothetical protein, conserved	0.006	0.4141	0.5
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.006	0.4141	1
Brugia malayi	hypothetical protein	0.0025	0.0898	0.3202
Echinococcus multilocularis	FTZ F1 alpha	0.0029	0.1288	0.3111
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0029	0.1288	0.4591
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0029	0.1288	0.3111
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.2805	0.6775
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0029	0.1288	0.3111
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0029	0.1288	0.4591
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0029	0.1288	0.4591
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0029	0.1288	0.3111
Echinococcus granulosus	ATP dependent DNA helicase PIF1	0.006	0.4141	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0029	0.1288	0.4591
Trichomonas vaginalis	conserved hypothetical protein	0.006	0.4141	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0021	0.0516	0.1247
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0029	0.1288	0.4591
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0029	0.1288	0.3111
Schistosoma mansoni	hypothetical protein	0.006	0.4141	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2805	0.6775
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.006	0.4141	1
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0021	0.0516	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0029	0.1288	0.3111
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0029	0.1288	0.3111
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0029	0.1288	0.4591
Echinococcus granulosus	phosphoglycerate mutase	0.0021	0.0516	0.1247
Onchocerca volvulus	Protein ultraspiracle homolog	0.0029	0.1288	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1288	0.4591
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.2805	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0898	0.3202
Brugia malayi	steroid hormone receptor	0.0029	0.1288	0.4591
Echinococcus multilocularis	phosphoglycerate mutase	0.0021	0.0516	0.1247
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1288	0.4591
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0029	0.1288	0.4591
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0029	0.1288	0.3111
Brugia malayi	hypothetical protein	0.0016	0.0069	0.0245
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0029	0.1288	0.3111
Brugia malayi	Steroid receptor seven-up type 2	0.0029	0.1288	0.4591
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0029	0.1288	0.4591
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	0.0115	0.9246	1
Loa Loa (eye worm)	steroid hormone receptor	0.0029	0.1288	0.4591
Brugia malayi	ecdysteroid receptor	0.0029	0.1288	0.4591
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0029	0.1288	0.3111
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0029	0.1288	0.4591
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0029	0.1288	0.4591

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 51.2299999999998 mM kg-1	Bronchosecretory activity measured as tracheal secretion of phenol red in mouse after oral administration	ChEMBL.	3820227

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.

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Detailed information for compound 261132