TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 528.225 | Formula: C20H10Cl2F3N5O5
H donors: 0 H acceptors: 5 LogP: 6.85 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: Clc1cc(ccc1/N=N/N(C(=O)c1ccccc1C(F)(F)F)c1ccc(cc1Cl)[N+](=O)[O-])[N+](=O)[O-]
InChi: 1S/C20H10Cl2F3N5O5/c21-15-9-11(29(32)33)5-7-17(15)26-27-28(18-8-6-12(30(34)35)10-16(18)22)19(31)13-3-1-2-4-14(13)20(23,24)25/h1-10H/b27-26+
InChiKey: UZRZNNFAFMMCSP-CYYJNZCTSA-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)	nuclear hormone receptor family member nhr-14	0.002	0.0054	0.05
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0034	0.0236	0.5799
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0025	0.0128	0.2152
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.0401	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0054	0.05
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0054	0.05
Trypanosoma brucei	trypanothione reductase	0.0047	0.0401	1
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0034	0.0236	0.5799
Loa Loa (eye worm)	hypothetical protein	0.002	0.0054	0.05
Onchocerca volvulus		0.002	0.0054	0.5
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.0401	0.0401
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0034	0.0236	0.5799
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0107	0.1171	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0233	0.2149
Leishmania major	hypothetical protein, conserved	0.0034	0.0236	0.4092
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0054	0.05
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0565	1
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.0008	0.0019
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0598	0.147
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.002	0.0054	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0598	0.147
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0054	0.05
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0054	0.0133
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0233	0.2149
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0059	0.0565	0.423
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0054	0.05
Brugia malayi	steroid hormone receptor	0.002	0.0054	0.05
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0054	0.05
Mycobacterium tuberculosis	Probable oxidoreductase	0.0118	0.1325	1
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0054	0.0133
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.01	0.1084	0.1084
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0054	0.05
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0054	0.05
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.0598	0.5517
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0054	0.011
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0054	0.0054
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.0401	0.0818
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0054	0.011
Loa Loa (eye worm)	flap endonuclease-1	0.0025	0.0128	0.1178
Brugia malayi	glutathione reductase	0.0047	0.0401	0.3699
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0054	0.05
Toxoplasma gondii	aldehyde dehydrogenase	0.0059	0.0565	1
Trichomonas vaginalis	flap endonuclease-1, putative	0.0025	0.0128	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0054	0.011
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0598	0.147
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0025	0.0128	0.2152
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0054	0.0133
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0054	0.011
Toxoplasma gondii	Erv1 / Alr family protein	0.0034	0.0236	0.4092
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0054	0.0133
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.0598	0.0598
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0118	0.1325	1
Plasmodium falciparum	flap endonuclease 1	0.0025	0.0128	0.3049
Brugia malayi	Augmenter of liver regeneration	0.0034	0.0236	0.2175
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0565	1
Brugia malayi	TAR-binding protein	0.0062	0.0598	0.5517
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0034	0.0236	0.0236
Mycobacterium tuberculosis	Probable reductase	0.0107	0.1171	0.8837
Schistosoma mansoni	hypothetical protein	0.0331	0.4067	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0054	0.05
Giardia lamblia	Flap structure-specific endonuclease	0.0025	0.0128	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0054	0.05
Schistosoma mansoni	coup transcription factor	0.002	0.0054	0.0133
Echinococcus multilocularis	thyroid hormone receptor alpha	0.002	0.0054	0.0054
Schistosoma mansoni	flap endonuclease-1	0.0023	0.0096	0.0236
Echinococcus granulosus	tar DNA binding protein	0.0062	0.0598	0.122
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0054	0.05
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0025	0.0128	0.3049
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0433	0.4
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0054	0.05
Onchocerca volvulus	Protein ultraspiracle homolog	0.002	0.0054	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0054	0.0054
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0054	0.0133
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0059	0.0565	0.0565
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0054	0.05
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0054	0.0133
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.01	0.1084	0.2665
Echinococcus granulosus	FTZ F1 alpha	0.0396	0.4902	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0054	0.011
Brugia malayi	ecdysteroid receptor	0.002	0.0054	0.05
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0118	0.1325	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0054	0.0054
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.0401	1
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0025	0.0128	0.3049
Loa Loa (eye worm)	hepatopoietin HPO2	0.0034	0.0236	0.2175
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0008	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0054	0.05
Toxoplasma gondii	thioredoxin reductase	0.0047	0.0401	0.7057
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0054	0.011
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0107	0.1171	0.8837
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0054	0.0054
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.0598	0.5517
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0054	0.05
Plasmodium falciparum	thioredoxin reductase	0.0047	0.0401	1
Brugia malayi	nuclear receptor NHR-88	0.002	0.0054	0.05
Plasmodium falciparum	glutathione reductase	0.0047	0.0401	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0054	0.0133
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.0401	0.2985
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0433	0.4
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0054	0.0133
Treponema pallidum	NADH oxidase	0.0016	0.0008	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.0598	0.5517
Schistosoma mansoni	hypothetical protein	0.008	0.0829	0.2038
Echinococcus granulosus	geminin	0.0331	0.4067	0.8296
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0054	0.05
Loa Loa (eye worm)	hypothetical protein	0.01	0.1084	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0107	0.1171	0.8837
Loa Loa (eye worm)	hypothetical protein	0.002	0.0054	0.05
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.002	0.0054	0.05
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.01	0.1084	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0433	0.4
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0059	0.0565	1
Echinococcus multilocularis	flap endonuclease 1	0.0025	0.0128	0.0128
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0433	0.4
Loa Loa (eye worm)	hypothetical protein	0.002	0.0054	0.05
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0034	0.0236	0.5799
Plasmodium vivax	flap endonuclease 1, putative	0.0025	0.0128	0.3049
Brugia malayi	Flap endonuclease-1	0.0025	0.0128	0.1178
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0054	0.0133
Brugia malayi	RNA binding protein	0.0062	0.0598	0.5517
Entamoeba histolytica	Flap nuclease, putative	0.0025	0.0128	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.01	0.1084	1
Brugia malayi	nuclear hormone receptor	0.002	0.0054	0.05
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0016	0.0008	0.5
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0107	0.1171	0.8837
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0008	0.5
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0034	0.0236	0.5799
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0118	0.1325	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0054	0.0133
Schistosoma mansoni	hypothetical protein	0.0034	0.0233	0.0573
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0054	0.0133
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0598	0.147
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0054	0.05
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0034	0.0236	0.5799
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.002	0.0054	0.05
Leishmania major	trypanothione reductase	0.0047	0.0401	0.7057
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0107	0.1171	0.8837
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0008	0.0072
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.01	0.1084	0.2211
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.0401	0.3699
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0565	0.1389
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0054	0.05
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0034	0.0236	0.0481
Loa Loa (eye worm)	glutathione reductase	0.0047	0.0401	0.3699
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0054	0.05
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.0008	0.0016
Brugia malayi	Thioredoxin reductase	0.0047	0.0401	0.3699
Echinococcus multilocularis	geminin	0.0331	0.4067	0.4067
Loa Loa (eye worm)	RNA binding protein	0.0062	0.0598	0.5517
Loa Loa (eye worm)	hypothetical protein	0.002	0.0054	0.05
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0054	0.011
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.0008	0.0008
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0059	0.0565	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0054	0.05
Echinococcus granulosus	flap endonuclease 1	0.0025	0.0128	0.026
Onchocerca volvulus	Bile acid receptor homolog	0.002	0.0054	0.5
Plasmodium vivax	glutathione reductase, putative	0.0047	0.0401	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0054	0.05
Schistosoma mansoni	aldehyde dehydrogenase	0.0059	0.0565	0.1389
Echinococcus multilocularis	FTZ F1 alpha	0.01	0.1084	0.1084
Schistosoma mansoni	hypothetical protein	0.0331	0.4067	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0059	0.0565	0.1152
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.0598	0.147
Toxoplasma gondii	Erv1 / Alr family protein	0.0034	0.0236	0.4092

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 10.59 uM	Cytotoxicity against human HeLa cells after 72 hrs by MTT assay	ChEMBL.	21550697

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21550697

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: CHEMBL1807134

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 1027503