TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 341.297 | Formula: C16H12FN5O3
H donors: 1 H acceptors: 4 LogP: -0.11 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc2c(c1)[n+]([O-])c(c([n+]2[O-])C)/C=N/NC(=O)c1ccncc1
InChi: 1S/C16H12FN5O3/c1-10-15(9-19-20-16(23)11-4-6-18-7-5-11)22(25)14-8-12(17)2-3-13(14)21(10)24/h2-9H,1H3,(H,20,23)/b19-9+
InChiKey: KQLUYVSWSSIYND-DJKKODMXSA-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)	DRP-1 protein	0.00135993	0.0444649	0.026736
Trypanosoma cruzi	dynamin-1-like protein	0.00135993	0.0444649	0.026736
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.0109674	1	1
Mycobacterium ulcerans	hypothetical protein	0.0109674	1	0.5
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.00218734	0.126757	0.3082
Echinococcus granulosus	nuclear receptor nhr 48	0.00218734	0.126757	0.3082
Plasmodium falciparum	dynamin-like protein	0.00135993	0.0444649	1
Brugia malayi	conserved hypotetical protein	0.00218734	0.126757	0.110555
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.00463698	0.370394	0.358712
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.00463698	0.370394	0.358712
Loa Loa (eye worm)	hypothetical protein	0.00218734	0.126757	0.110555
Brugia malayi	steroid hormone receptor	0.00463698	0.370394	0.358712
Loa Loa (eye worm)	steroid hormone receptor	0.00463698	0.370394	0.358712
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.00463698	0.370394	1
Brugia malayi	Nuclear hormone receptor-like 1	0.00463698	0.370394	0.358712
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.00463698	0.370394	0.358712
Schistosoma mansoni	dynamin	0.00146398	0.0548138	0.103919
Loa Loa (eye worm)	hypothetical protein	0.00244965	0.152846	0.137128
Echinococcus multilocularis	nuclear receptor nhr 48	0.00218734	0.126757	0.3082
Brugia malayi	Nuclear hormone receptor-like 1	0.00244965	0.152846	0.137128
Brugia malayi	Steroid receptor seven-up type 2	0.00463698	0.370394	0.358712
Plasmodium vivax	dynamin-like protein, putative	0.00135993	0.0444649	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.00218734	0.126757	0.110555
Trichomonas vaginalis	dynamin, putative	0.00135993	0.0444649	0.026736
Brugia malayi	nuclear hormone receptor	0.00218734	0.126757	0.110555
Loa Loa (eye worm)	hypothetical protein	0.00463698	0.370394	0.358712
Loa Loa (eye worm)	nuclear hormone receptor	0.00218734	0.126757	0.110555
Loa Loa (eye worm)	hypothetical protein	0.00463698	0.370394	0.358712
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.00463698	0.370394	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.00463698	0.370394	1
Brugia malayi	nuclear receptor RXR	0.00244965	0.152846	0.137128
Brugia malayi	nuclear hormone receptor family member nhr-6	0.00218734	0.126757	0.110555
Brugia malayi	Nuclear hormone receptor E75	0.00218734	0.126757	0.110555
Loa Loa (eye worm)	hypothetical protein	0.00218734	0.126757	0.110555
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.00218734	0.126757	0.110555
Loa Loa (eye worm)	hypothetical protein	0.00463698	0.370394	0.358712
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.00463698	0.370394	1
Brugia malayi	3-oxo-5-alpha-steroid 4-dehydrogenase 1	0.0109674	1	1
Trichomonas vaginalis	interferon-induced GTP-binding protein mx, putative	0.00135993	0.0444649	0.026736
Brugia malayi	Nuclear hormone receptor-like 1	0.00244965	0.152846	0.137128
Trichomonas vaginalis	dynamin, putative	0.00135993	0.0444649	0.026736
Loa Loa (eye worm)	hypothetical protein	0.00218734	0.126757	0.110555
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.00218734	0.126757	0.3082
Echinococcus granulosus	ecdysone induced protein 78C	0.00463698	0.370394	1
Schistosoma mansoni	thyroid hormone receptor	0.00463698	0.370394	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.00218734	0.126757	0.3082
Echinococcus multilocularis	dynamin	0.00135993	0.0444649	0.0745332
Loa Loa (eye worm)	hypothetical protein	0.00463698	0.370394	0.358712
Brugia malayi	nuclear receptor NHR-88	0.00218734	0.126757	0.110555
Brugia malayi	nuclear receptor NHR-88	0.00463698	0.370394	0.358712
Brugia malayi	Dynamin central region family protein	0.00135993	0.0444649	0.026736
Brugia malayi	ecdysone receptor	0.00218734	0.126757	0.110555
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.00218734	0.126757	0.3082
Trichomonas vaginalis	dynamin, putative	0.00135993	0.0444649	0.026736
Trichomonas vaginalis	dynamin, putative	0.00135993	0.0444649	0.026736
Echinococcus granulosus	Nuclear hormone receptor HR96	0.00218734	0.126757	0.3082
Leishmania major	3-oxo-5-alpha-steroid 4-dehydrogenase-like protein	0.0109674	1	1
Trichomonas vaginalis	dynamin, putative	0.00135993	0.0444649	0.026736
Onchocerca volvulus		0.00463698	0.370394	1
Echinococcus granulosus	dynamin	0.00135993	0.0444649	0.0745332
Loa Loa (eye worm)	hypothetical protein	0.00244965	0.152846	0.137128
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.00463698	0.370394	1
Schistosoma mansoni	nuclear receptor nhr-48	0.00218734	0.126757	0.3082
Echinococcus multilocularis	thyroid hormone receptor alpha	0.00463698	0.370394	1
Loa Loa (eye worm)	hypothetical protein	0.00463698	0.370394	0.358712
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.00244965	0.152846	0.382279
Echinococcus multilocularis	dynamin 1 protein	0.00135993	0.0444649	0.0745332
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.00463698	0.370394	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.00463698	0.370394	0.358712
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.00463698	0.370394	1
Brugia malayi	tailless protein	0.00218734	0.126757	0.110555
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.00463698	0.370394	0.358712
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.00463698	0.370394	0.358712
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.00463698	0.370394	1
Brugia malayi	hypothetical protein	0.00244965	0.152846	0.137128
Loa Loa (eye worm)	hypothetical protein	0.00244965	0.152846	0.137128
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.00463698	0.370394	0.358712
Brugia malayi	Dynamin	0.00146398	0.0548138	0.0372769
Plasmodium falciparum	dynamin-like protein	0.00135993	0.0444649	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.00463698	0.370394	1
Loa Loa (eye worm)	hypothetical protein	0.00146398	0.0548138	0.0372769
Loa Loa (eye worm)	hypothetical protein	0.00463698	0.370394	0.358712
Brugia malayi	Dynamin	0.00146398	0.0548138	0.0372769
Loa Loa (eye worm)	nuclear receptor NHR-67	0.00218734	0.126757	0.110555
Loa Loa (eye worm)	hypothetical protein	0.00218734	0.126757	0.110555
Schistosoma mansoni	RAR-like nuclear receptor	0.00463698	0.370394	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.00218734	0.126757	0.3082
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.00463698	0.370394	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.00463698	0.370394	1
Entamoeba histolytica	steroid 5-alpha reductase, putative	0.0109674	1	1
Entamoeba histolytica	dynamin-1-like protein, putative	0.00135993	0.0444649	0.026736
Schistosoma mansoni	nuclear hormone receptor	0.00218734	0.126757	0.3082
Loa Loa (eye worm)	hypothetical protein	0.00244965	0.152846	0.137128
Onchocerca volvulus	Bile acid receptor homolog	0.00463698	0.370394	1
Loa Loa (eye worm)	hypothetical protein	0.00218734	0.126757	0.110555
Echinococcus granulosus	dynamin 1	0.00146398	0.0548138	0.103919
Schistosoma mansoni	nuclear hormone receptor	0.00218734	0.126757	0.3082
Brugia malayi	nuclear hormone receptor family member odr-7	0.00218734	0.126757	0.110555
Schistosoma mansoni	retinoic acid receptor RXR	0.00463698	0.370394	1
Toxoplasma gondii	dynamin-related protein DRPB	0.00135993	0.0444649	0.0444649
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.00218734	0.126757	0.3082
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.00218734	0.126757	0.3082
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.00463698	0.370394	1
Loa Loa (eye worm)	hypothetical protein	0.00463698	0.370394	0.358712
Loa Loa (eye worm)	hypothetical protein	0.00218734	0.126757	0.110555
Brugia malayi	hypothetical protein	0.00244965	0.152846	0.137128
Trichomonas vaginalis	mgm1, putative	0.00135993	0.0444649	0.026736
Trypanosoma brucei	dynamin-1-like protein	0.00135993	0.0444649	0.026736
Brugia malayi	nuclear hormone receptor	0.00463698	0.370394	0.358712
Brugia malayi	hypothetical protein	0.00218734	0.126757	0.110555
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.00463698	0.370394	0.358712
Trypanosoma brucei	dynamin-1-like protein	0.00135993	0.0444649	0.026736
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.00463698	0.370394	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.00463698	0.370394	0.358712
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.00463698	0.370394	0.358712
Schistosoma mansoni	zinc finger protein	0.00218734	0.126757	0.3082
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.00463698	0.370394	0.358712
Schistosoma mansoni	coup transcription factor	0.00463698	0.370394	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.00463698	0.370394	0.358712
Loa Loa (eye worm)	DR-78	0.00218734	0.126757	0.110555
Brugia malayi	nuclear receptor RXR	0.00218734	0.126757	0.110555
Loa Loa (eye worm)	hypothetical protein	0.00244965	0.152846	0.137128
Echinococcus granulosus	thyroid hormone receptor alpha	0.00218734	0.126757	0.3082
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.00244965	0.152846	0.137128
Brugia malayi	hypothetical protein	0.00218734	0.126757	0.110555
Loa Loa (eye worm)	hypothetical protein	0.00218734	0.126757	0.110555
Onchocerca volvulus		0.00218734	0.126757	0.3082
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0109674	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.00463698	0.370394	0.358712
Onchocerca volvulus	Protein ultraspiracle homolog	0.00463698	0.370394	1
Plasmodium vivax	dynamin protein, putative	0.00135993	0.0444649	1
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.00244965	0.152846	0.382279
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.00463698	0.370394	1
Loa Loa (eye worm)	hypothetical protein	0.00463698	0.370394	0.358712
Loa Loa (eye worm)	hypothetical protein	0.00218734	0.126757	0.110555
Echinococcus multilocularis	dynamin 1	0.00146398	0.0548138	0.103919
Brugia malayi	nuclear receptor NHR-67	0.00218734	0.126757	0.110555
Loa Loa (eye worm)	hypothetical protein	0.00218734	0.126757	0.110555
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.00244965	0.152846	0.382279
Schistosoma mansoni	thyroid hormone receptor	0.00463698	0.370394	1
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.00463698	0.370394	0.358712
Brugia malayi	orphan nuclear receptor NR2E1	0.00218734	0.126757	0.110555
Schistosoma mansoni	dynamin	0.00135993	0.0444649	0.0745332
Brugia malayi	Nuclear hormone receptor E75	0.00218734	0.126757	0.110555
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.00463698	0.370394	1
Trypanosoma cruzi	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0109674	1	1
Loa Loa (eye worm)	hypothetical protein	0.00218734	0.126757	0.110555
Onchocerca volvulus		0.00218734	0.126757	0.3082
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.00463698	0.370394	0.358712
Loa Loa (eye worm)	hypothetical protein	0.00218734	0.126757	0.110555
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.00218734	0.126757	0.3082
Giardia lamblia	Dynamin	0.00135993	0.0444649	1
Trichomonas vaginalis	dynamin, putative	0.00135993	0.0444649	0.026736
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.00218734	0.126757	0.3082
Loa Loa (eye worm)	hypothetical protein	0.00218734	0.126757	0.110555
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.00218734	0.126757	0.3082
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.00463698	0.370394	1
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.00109601	0.0182159	0.0182159
Schistosoma mansoni	dynamin	0.00146398	0.0548138	0.103919
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.00463698	0.370394	1
Loa Loa (eye worm)	hypothetical protein	0.0109674	1	1
Schistosoma mansoni	nuclear receptor	0.00218734	0.126757	0.3082
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.00463698	0.370394	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.00463698	0.370394	0.358712
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.00218734	0.126757	0.3082
Echinococcus granulosus	Nuclear hormone receptor HR96	0.00218734	0.126757	0.3082
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.00463698	0.370394	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.00244965	0.152846	0.382279
Echinococcus granulosus	dynamin 1 protein	0.00135993	0.0444649	0.0745332
Toxoplasma gondii	dynamin-related protein DRPA	0.00135993	0.0444649	0.0444649
Echinococcus multilocularis	FTZ F1 alpha	0.00463698	0.370394	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.00463698	0.370394	0.358712
Echinococcus multilocularis	ecdysone induced protein 78C	0.00463698	0.370394	1
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0109674	1	1
Schistosoma mansoni	nuclear receptor	0.00218734	0.126757	0.3082
Schistosoma mansoni	nuclear hormone receptor	0.00463698	0.370394	1
Trypanosoma brucei	3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative	0.0109674	1	1
Echinococcus granulosus	FTZ F1 alpha	0.00463698	0.370394	1
Brugia malayi	ecdysteroid receptor	0.00463698	0.370394	0.358712
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.00463698	0.370394	0.358712
Toxoplasma gondii	3-oxo-5-alpha-steroid 4-dehydrogenase	0.00109601	0.0182159	0.0182159
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0109674	1	1
Loa Loa (eye worm)	hypothetical protein	0.00218734	0.126757	0.110555
Trichomonas vaginalis	3-oxo-5-alpha-steroid 4-dehydrogenase, putative	0.0109674	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.00463698	0.370394	0.358712
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.00463698	0.370394	0.358712
Schistosoma mansoni	steroid hormone receptor ad4bp	0.00463698	0.370394	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.00463698	0.370394	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.00463698	0.370394	0.358712
Entamoeba histolytica	dynamin-like protein	0.00135993	0.0444649	0.026736

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	< 0.58 uM	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 by microplate Alamar blue assay	ChEMBL.	21570839
IC90 (functional)	= 23.05 uM	Antimycobacterial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 by microplate Alamar blue assay	ChEMBL.	21570839

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mycobacterium tuberculosis		21570839

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: CHEMBL1777918

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 1527834