TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 371.412 | Formula: C16H10FN5OS2
H donors: 1 H acceptors: 3 LogP: 3.45 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)c1n[nH]cc1/C=C/1\SC(=N)N(C1=O)c1nccs1
InChi: 1S/C16H10FN5OS2/c17-11-3-1-2-9(6-11)13-10(8-20-21-13)7-12-14(23)22(15(18)25-12)16-19-4-5-24-16/h1-8,18H,(H,20,21)/b12-7-,18-15?
InChiKey: PVLIGGXEEMNUKJ-KBEFMPHXSA-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
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0243	0.3344
Brugia malayi	RNA binding protein	0.0276	0.2872	0.2872
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0726	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0052	0.0243	0.3344
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0726	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0252	0.2586	0.5
Schistosoma mansoni	kinase	0.0048	0.0185	0.0645
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0252	0.2586	0.9005
Brugia malayi	MH2 domain containing protein	0.006	0.0333	0.0333
Loa Loa (eye worm)	transcription factor SMAD2	0.0883	1	1
Schistosoma mansoni	Smad4	0.006	0.0333	0.116
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0252	0.2586	1
Brugia malayi	MH1 domain containing protein	0.0033	0.0017	0.0017
Brugia malayi	MH1 domain containing protein	0.006	0.0333	0.0333
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0099	0.0346
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0252	0.2586	1
Loa Loa (eye worm)	hypothetical protein	0.0252	0.2586	0.2586
Brugia malayi	MH1 domain containing protein	0.0033	0.0017	0.0017
Echinococcus granulosus	TGF beta signal transducer SmadC	0.006	0.0333	0.116
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.0726	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0243	0.0939
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0087	0.0646	0.2498
Schistosoma mansoni	peptidase Clp (S14 family)	0.0252	0.2586	0.9005
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0017	0.0017
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0252	0.2586	0.5
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0252	0.2586	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0165	0.1566	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0252	0.2586	0.5
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0094	0.0726	0.2528
Schistosoma mansoni	tar DNA-binding protein	0.0276	0.2872	1
Toxoplasma gondii	LsmAD domain-containing protein	0.0052	0.0243	0.0939
Loa Loa (eye worm)	Smad1	0.006	0.0333	0.0333
Trypanosoma brucei	polo-like protein kinase	0.0094	0.0726	1
Leishmania major	hypothetical protein, conserved	0.0052	0.0243	0.3344
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0726	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0046	0.0171	0.0171
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0276	0.2872	0.2872
Schistosoma mansoni	tar DNA-binding protein	0.0276	0.2872	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0171	0.0171
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0252	0.2586	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0726	1
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0726	1
Toxoplasma gondii	hypothetical protein	0.0087	0.0646	0.2498
Loa Loa (eye worm)	MH2 domain-containing protein	0.0883	1	1
Brugia malayi	hypothetical protein	0.004	0.0099	0.0099
Loa Loa (eye worm)	TAR-binding protein	0.0276	0.2872	0.2872
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0094	0.0726	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0052	0.0243	0.0939
Echinococcus multilocularis	tar DNA binding protein	0.0276	0.2872	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0046	0.0171	0.0171
Echinococcus granulosus	mothers against decapentaplegic 5	0.006	0.0333	0.116
Brugia malayi	MH1 domain containing protein	0.006	0.0333	0.0333
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0165	0.1566	1
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0726	1
Schistosoma mansoni	tar DNA-binding protein	0.0276	0.2872	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0252	0.2586	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0099	0.0346
Loa Loa (eye worm)	MH1 domain-containing protein	0.006	0.0333	0.0333
Brugia malayi	hypothetical protein	0.0052	0.0243	0.0243
Loa Loa (eye worm)	nuclear factor I	0.0033	0.0017	0.0017
Brugia malayi	Probable ClpP-like protease	0.0252	0.2586	0.2586
Plasmodium vivax	ataxin-2 like protein, putative	0.0052	0.0243	0.0939
Brugia malayi	RNA recognition motif domain containing protein	0.0276	0.2872	0.2872
Giardia lamblia	Kinase, PLK	0.0094	0.0726	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0052	0.0243	0.3344
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0094	0.0726	0.5
Loa Loa (eye worm)	MH2 domain-containing protein	0.006	0.0333	0.0333
Schistosoma mansoni	hypothetical protein	0.004	0.0099	0.0346
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0094	0.0726	0.2528
Schistosoma mansoni	serine/threonine protein kinase	0.0094	0.0726	0.2528
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0243	0.0243
Trichomonas vaginalis	CAMK family protein kinase	0.0094	0.0726	1
Schistosoma mansoni	tar DNA-binding protein	0.0276	0.2872	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0252	0.2586	1
Brugia malayi	hypothetical protein	0.0034	0.0024	0.0024
Brugia malayi	Smad1	0.006	0.0333	0.0333
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0087	0.0646	0.2498
Brugia malayi	serine/threonine-protein kinase plk-2	0.0094	0.0726	0.0726
Echinococcus multilocularis	Smad4	0.006	0.0333	0.116
Echinococcus multilocularis	mothers against decapentaplegic 5	0.006	0.0333	0.116
Echinococcus granulosus	tar DNA binding protein	0.0276	0.2872	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0046	0.0171	0.0171
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0165	0.1566	0.4744
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0165	0.1566	0.5454
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0099	0.0346
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0252	0.2586	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0094	0.0726	0.0726
Echinococcus multilocularis	smad	0.006	0.0333	0.116
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.006	0.0333	0.116
Trypanosoma cruzi	polo-like protein kinase, putative	0.0094	0.0726	1
Schistosoma mansoni	tar DNA-binding protein	0.0276	0.2872	1
Brugia malayi	TAR-binding protein	0.0276	0.2872	0.2872
Schistosoma mansoni	smad	0.006	0.0333	0.116
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.006	0.0333	0.116
Loa Loa (eye worm)	RNA binding protein	0.0276	0.2872	0.2872
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0252	0.2586	0.9005
Brugia malayi	MH2 domain containing protein	0.006	0.0333	0.0333
Schistosoma mansoni	smad1 5 8 and	0.006	0.0333	0.116
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0252	0.2586	1
Schistosoma mansoni	smad1 5 8 and	0.006	0.0333	0.116
Echinococcus granulosus	peptidase Clp S14 family	0.0165	0.1566	0.5454
Echinococcus granulosus	smad	0.006	0.0333	0.116
Schistosoma mansoni	smad1 5 8 and	0.006	0.0333	0.116
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0094	0.0726	1
Echinococcus granulosus	Smad4	0.006	0.0333	0.116

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: CHEMBL478445

Bibliographic References

No literature references available for this target.

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Detailed information for compound 979747