TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 283.272 | Formula: C12H8F3N3S
H donors: 0 H acceptors: 2 LogP: 2.93 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: C#CCSc1nncn1c1ccc(cc1)C(F)(F)F
InChi: 1S/C12H8F3N3S/c1-2-7-19-11-17-16-8-18(11)10-5-3-9(4-6-10)12(13,14)15/h1,3-6,8H,7H2
InChiKey: XKUAUCLZHWHUIN-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
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0057	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0057	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.1426	1	1
Schistosoma mansoni	thyroid hormone receptor	0.1426	1	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0673	0.4644	0.464
Brugia malayi	ecdysone receptor	0.0673	0.4644	0.4613
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0057	0.0049
Echinococcus multilocularis	thyroid hormone receptor alpha	0.1426	1	1
Schistosoma mansoni	nuclear receptor	0.0673	0.4644	0.4431
Brugia malayi	Steroid receptor seven-up type 2	0.1426	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.1426	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.1426	1	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0.0008	0.5
Onchocerca volvulus		0.0673	0.4644	0.4613
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.1426	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.1426	1	1
Brugia malayi	steroid hormone receptor	0.1426	1	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.1426	1	1
Brugia malayi	hypothetical protein	0.0753	0.5218	0.519
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0673	0.4644	0.4431
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0057	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.1426	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0673	0.4644	0.4431
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0021	0.0008	0.139
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1426	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.1426	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0673	0.4644	0.4613
Loa Loa (eye worm)	steroid hormone receptor	0.1426	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0057	0.5
Loa Loa (eye worm)	hypothetical protein	0.1426	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.1426	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0673	0.4644	0.4613
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0057	1
Brugia malayi	Nuclear hormone receptor E75	0.0673	0.4644	0.4613
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.1426	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.1426	1	1
Echinococcus granulosus	FTZ F1 alpha	0.1426	1	1
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0057	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.1426	1	1
Schistosoma mansoni	nuclear hormone receptor	0.1426	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0673	0.4644	0.4431
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.1426	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.1426	1	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0673	0.4644	0.4431
Loa Loa (eye worm)	hypothetical protein	0.1426	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.1426	1	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0673	0.4644	0.4431
Brugia malayi	Nuclear hormone receptor-like 1	0.1426	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0673	0.4644	0.464
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1426	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0673	0.4644	0.464
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0057	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0673	0.4644	0.4431
Loa Loa (eye worm)	DR-78	0.0673	0.4644	0.464
Brugia malayi	hypothetical protein	0.0673	0.4644	0.4613
Loa Loa (eye worm)	hypothetical protein	0.0673	0.4644	0.464
Schistosoma mansoni	thyroid hormone receptor	0.1426	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.1426	1	1
Brugia malayi	nuclear receptor RXR	0.0753	0.5218	0.519
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0673	0.4644	0.4431
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0753	0.5218	0.5027
Brugia malayi	nuclear hormone receptor family member odr-7	0.0673	0.4644	0.4613
Brugia malayi	Nuclear hormone receptor-like 1	0.0753	0.5218	0.519
Loa Loa (eye worm)	hypothetical protein	0.0753	0.5218	0.5214
Loa Loa (eye worm)	hypothetical protein	0.1426	1	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0057	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.1426	1	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0057	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1426	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0057	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0673	0.4644	0.464
Brugia malayi	RNA recognition motif domain containing protein	0.0073	0.0384	0.0328
Onchocerca volvulus	Protein ultraspiracle homolog	0.1426	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0673	0.4644	0.464
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.1426	1	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0057	0.5
Schistosoma mansoni	coup transcription factor	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0673	0.4644	0.464
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.1426	1	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0673	0.4644	0.464
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0073	0.0384	0.0376
Brugia malayi	hypothetical protein	0.0753	0.5218	0.519
Loa Loa (eye worm)	hypothetical protein	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0057	0.0049
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.1426	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0673	0.4644	0.4431
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0673	0.4644	0.464
Loa Loa (eye worm)	hypothetical protein	0.0673	0.4644	0.464
Onchocerca volvulus		0.1426	1	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0057	1
Schistosoma mansoni	RAR-like nuclear receptor	0.1426	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0753	0.5218	0.5214
Schistosoma mansoni	steroid hormone receptor ad4bp	0.1426	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.1426	1	1
Brugia malayi	nuclear hormone receptor	0.1426	1	1
Brugia malayi	hypothetical protein	0.0673	0.4644	0.4613
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0057	0.5
Brugia malayi	conserved hypotetical protein	0.0673	0.4644	0.4613
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0673	0.4644	0.4613
Brugia malayi	nuclear receptor NHR-88	0.0673	0.4644	0.4613
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0673	0.4644	0.4613
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0673	0.4644	0.4431
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0673	0.4644	0.464
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0673	0.4644	0.4431
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.1426	1	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0021	0.0008	0.5
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0057	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0673	0.4644	0.4431
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0673	0.4644	0.4431
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0057	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0753	0.5218	0.519
Brugia malayi	tailless protein	0.0673	0.4644	0.4613
Echinococcus granulosus	ecdysone induced protein 78C	0.1426	1	1
Brugia malayi	nuclear hormone receptor	0.0673	0.4644	0.4613
Echinococcus granulosus	thyroid hormone receptor alpha	0.0673	0.4644	0.4431
Brugia malayi	TAR-binding protein	0.0073	0.0384	0.0328
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0753	0.5218	0.5027
Loa Loa (eye worm)	hypothetical protein	0.1426	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.1426	1	1
Brugia malayi	nuclear receptor RXR	0.0673	0.4644	0.4613
Loa Loa (eye worm)	hypothetical protein	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0057	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0753	0.5218	0.5214
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.1426	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0057	0.5
Schistosoma mansoni	nuclear receptor	0.0673	0.4644	0.4431
Loa Loa (eye worm)	TAR-binding protein	0.0073	0.0384	0.0376
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.1426	1	1
Brugia malayi	RNA binding protein	0.0073	0.0384	0.0328
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.1426	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0673	0.4644	0.4613
Loa Loa (eye worm)	hypothetical protein	0.0673	0.4644	0.464
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.1426	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0673	0.4644	0.4613
Loa Loa (eye worm)	RNA binding protein	0.0073	0.0384	0.0376
Brugia malayi	photoreceptor-specific nuclear receptor	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0673	0.4644	0.464
Loa Loa (eye worm)	nuclear hormone receptor	0.0673	0.4644	0.464
Loa Loa (eye worm)	hypothetical protein	0.1426	1	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0673	0.4644	0.4431
Schistosoma mansoni	zinc finger protein	0.0673	0.4644	0.4431
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.1426	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0673	0.4644	0.4431
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0753	0.5218	0.5214
Loa Loa (eye worm)	hypothetical protein	0.0673	0.4644	0.464
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0753	0.5218	0.5027
Onchocerca volvulus	Bile acid receptor homolog	0.1426	1	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0753	0.5218	0.5027
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.1426	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0753	0.5218	0.5214
Onchocerca volvulus		0.0673	0.4644	0.4613
Brugia malayi	nuclear receptor NHR-67	0.0673	0.4644	0.4613
Brugia malayi	nuclear receptor NHR-88	0.1426	1	1
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0.0008	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0753	0.5218	0.5214
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.1426	1	1
Loa Loa (eye worm)	hypothetical protein	0.0673	0.4644	0.464
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0057	0.5
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0673	0.4644	0.4431
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0057	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.1426	1	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0673	0.4644	0.4431

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: CHEMBL2268902

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 1840456