TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 282.049 | Formula: C9H4Cl2F3N3
H donors: 0 H acceptors: 2 LogP: 3.52 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: FC(c1nnn(c1)c1cc(Cl)cc(c1)Cl)(F)F
InChi: 1S/C9H4Cl2F3N3/c10-5-1-6(11)3-7(2-5)17-4-8(15-16-17)9(12,13)14/h1-4H
InChiKey: GLJSDAZOAXKSRW-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
Schistosoma mansoni	retinoic acid receptor RXR	0.0029	0.1667	0.2182
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1667	0.0844
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0029	0.1667	0.2182
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0029	0.1667	0.0844
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0038	0.3003	0.94
Echinococcus multilocularis	jun protein	0.0085	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0029	0.1667	0.0844
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0029	0.1667	0.1667
Plasmodium vivax	pyruvate kinase, putative	0.0034	0.2461	1
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0038	0.3003	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0038	0.3003	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0029	0.1667	0.1667
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.3003	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0029	0.1667	0.2182
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1667	0.0844
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.3003	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0029	0.1667	0.2182
Loa Loa (eye worm)	hypothetical protein	0.0082	0.9655	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.4338	0.4338
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.2461	0.141
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0029	0.1667	0.0844
Echinococcus multilocularis	inositol monophosphatase 1	0.0038	0.3003	0.3003
Entamoeba histolytica	hypothetical protein	0.0038	0.3135	1
Loa Loa (eye worm)	inositol-1	0.0038	0.3003	0.2375
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0034	0.2461	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1667	0.0844
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0029	0.1667	0.2182
Echinococcus multilocularis	ecdysone induced protein 78C	0.0029	0.1667	0.1667
Brugia malayi	Inositol-1	0.0038	0.3003	0.1603
Schistosoma mansoni	inositol monophosphatase	0.0038	0.3003	0.393
Brugia malayi	hypothetical protein	0.0038	0.3135	0.1762
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0029	0.1667	0.1667
Schistosoma mansoni	inositol monophosphatase	0.0038	0.3003	0.393
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.2461	0.1754
Echinococcus granulosus	FTZ F1 alpha	0.0029	0.1667	0.1667
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.3135	0.3135
Echinococcus granulosus	ecdysone induced protein 78C	0.0029	0.1667	0.1667
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0029	0.1667	0.2182
Schistosoma mansoni	thyroid hormone receptor	0.0029	0.1667	0.2182
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.4338	0.3905
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0029	0.1667	0.1667
Loa Loa (eye worm)	steroid hormone receptor	0.0029	0.1667	0.0844
Trichomonas vaginalis	inositol monophosphatase, putative	0.0038	0.3003	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0029	0.1667	0.1667
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.2461	0.141
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0029	0.1667	0.1667
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0029	0.1667	0.1667
Echinococcus multilocularis	pyruvate kinase	0.0034	0.2461	0.2461
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0029	0.1667	0.1667
Giardia lamblia	Pyruvate kinase	0.0034	0.2461	1
Echinococcus multilocularis	FTZ F1 alpha	0.0029	0.1667	0.1667
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0034	0.2461	0.0952
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.3003	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.3003	1
Schistosoma mansoni	coup transcription factor	0.0029	0.1667	0.2182
Schistosoma mansoni	hypothetical protein	0.0069	0.7641	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.4338	0.4338
Toxoplasma gondii	pyruvate kinase PyK1	0.0034	0.2461	0.8195
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0029	0.1667	0.0844
Echinococcus granulosus	pyruvate kinase	0.0034	0.2461	0.2461
Entamoeba histolytica	hypothetical protein	0.0038	0.3135	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0085	1	1
Brugia malayi	hypothetical protein	0.0066	0.7295	0.6754
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0029	0.1667	0.0844
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.4338	0.3205
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1667	0.0844
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.3135	0.4103
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.4338	0.5677
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0029	0.1667	0.2182
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0029	0.1667	0.2182
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0034	0.2461	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0029	0.1667	0.1667
Schistosoma mansoni	pyruvate kinase	0.0034	0.2461	0.3221
Echinococcus granulosus	jun protein	0.0085	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.2461	0.1754
Echinococcus multilocularis	pyruvate kinase	0.0027	0.1396	0.1396
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1667	0.0844
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0038	0.3003	1
Echinococcus granulosus	pyruvate kinase	0.0034	0.2461	0.2461
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1667	0.0844
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0038	0.3003	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1667	0.0844
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0038	0.3003	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0029	0.1667	0.1667
Echinococcus multilocularis	pyruvate kinase	0.0034	0.2461	0.2461
Echinococcus granulosus	inositol monophosphatase 1	0.0038	0.3003	0.3003
Schistosoma mansoni	pyruvate kinase	0.0034	0.2461	0.3221
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0029	0.1667	0.1667
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.4338	0.4338
Onchocerca volvulus		0.0066	0.7295	1
Plasmodium falciparum	pyruvate kinase	0.0034	0.2461	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0029	0.1667	0.0844
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0029	0.1667	0.1667
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.2461	0.141
Loa Loa (eye worm)	hypothetical protein	0.0029	0.1667	0.0844
Chlamydia trachomatis	pyruvate kinase	0.0034	0.2461	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0029	0.1667	0.1667
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0085	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.4338	0.5677
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.4338	0.4338
Entamoeba histolytica	hypothetical protein	0.0038	0.3135	1
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0034	0.2461	0.0952
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0029	0.1667	0.0844
Schistosoma mansoni	nuclear hormone receptor	0.0029	0.1667	0.2182
Schistosoma mansoni	RAR-like nuclear receptor	0.0029	0.1667	0.2182
Entamoeba histolytica	hypothetical protein	0.0038	0.3135	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.4338	0.5677
Schistosoma mansoni	hypothetical protein	0.0038	0.3135	0.4103
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.3135	0.3135
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.2461	0.1754
Schistosoma mansoni	thyroid hormone receptor	0.0029	0.1667	0.2182
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0029	0.1667	0.1667
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.2461	0.1754
Schistosoma mansoni	jun-related protein	0.0069	0.7641	1

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: CHEMBL1823324

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 1028271