TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 387.822 | Formula: C16H11ClFN7S
H donors: 2 H acceptors: 2 LogP: 4.49 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)/N=N/c1c(N)nn(c1N)c1sc2c(n1)ccc(c2)Cl
InChi: 1S/C16H11ClFN7S/c17-8-1-6-11-12(7-8)26-16(21-11)25-15(20)13(14(19)24-25)23-22-10-4-2-9(18)3-5-10/h1-7H,20H2,(H2,19,24)/b23-22+
InChiKey: LPKVJKVMARKHCQ-GHVJWSGMSA-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
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0054	0.0381	0.0424
Echinococcus multilocularis	regulator of G protein signaling 7	0.0118	0.0925	0.1028
Schistosoma mansoni	z-protein (S1r protein)	0.0118	0.0925	0.0925
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.1068	0.8994	0.8994
Schistosoma mansoni	regulator of G protein signaling	0.0118	0.0925	0.0925
Echinococcus multilocularis	axis inhibition protein axin	0.0118	0.0925	0.1028
Echinococcus granulosus	regulator of G protein signaling 7	0.0118	0.0925	0.1028
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.1068	0.8994	0.8994
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0084	0.0094
Schistosoma mansoni	serine/threonine protein kinase	0.1186	1	1
Schistosoma mansoni	lipoxygenase	0.0054	0.0381	0.0381
Echinococcus multilocularis	expressed protein	0.0118	0.0925	0.1028
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0121	0.0949	0.0949
Schistosoma mansoni	regulator of G protein signaling	0.0118	0.0925	0.0925
Loa Loa (eye worm)	transcription factor SMAD2	0.014	0.1108	0.1108
Schistosoma mansoni	axis inhibition protein axin	0.0118	0.0925	0.0925
Onchocerca volvulus		0.0019	0.0084	0.5
Echinococcus granulosus	expressed protein	0.0118	0.0925	0.1028
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.1186	1	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0054	0.0381	0.0424
Schistosoma mansoni	regulator of G protein signaling	0.0118	0.0925	0.0925
Brugia malayi	PXA domain containing protein	0.0118	0.0925	0.0925
Brugia malayi	hypothetical protein	0.0019	0.0084	0.0084
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0121	0.0949	0.1055
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0084	0.0084
Loa Loa (eye worm)	PXA domain-containing protein	0.0118	0.0925	0.0925
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0084	0.0094
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.1068	0.8994	1
Trichomonas vaginalis	conserved hypothetical protein	0.0118	0.0925	0.5
Echinococcus multilocularis	regulator of G protein signaling	0.0118	0.0925	0.1028
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0084	0.0084
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0121	0.0949	0.1055
Echinococcus granulosus	regulator of G protein signaling 3	0.0118	0.0925	0.1028
Echinococcus granulosus	axis inhibition protein axin	0.0118	0.0925	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0925	0.0925
Trichomonas vaginalis	conserved hypothetical protein	0.0118	0.0925	0.5
Onchocerca volvulus		0.0019	0.0084	0.5
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0118	0.0925	0.1028
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0925	0.0925
Schistosoma mansoni	axis inhibition protein axin	0.0118	0.0925	0.0925
Brugia malayi	regulator of G-protein signaling egl-10	0.0118	0.0925	0.0925
Brugia malayi	PXA domain containing protein	0.0118	0.0925	0.0925
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0084	0.0094
Brugia malayi	hypothetical protein	0.0118	0.0925	0.0925
Echinococcus multilocularis	regulator of G protein signaling 3	0.0118	0.0925	0.1028
Entamoeba histolytica	hypothetical protein	0.0118	0.0925	0.5
Loa Loa (eye worm)	RGS-3 protein	0.0118	0.0925	0.0925
Brugia malayi	MH2 domain containing protein	0.014	0.1108	0.1108
Brugia malayi	hypothetical protein	0.0019	0.0084	0.0084
Entamoeba histolytica	hypothetical protein	0.0118	0.0925	0.5
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.1068	0.8994	0.8994
Brugia malayi	Doublecortin family protein	0.0019	0.0084	0.0084
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0084	0.5
Echinococcus multilocularis	RUN	0.0019	0.0084	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0925	0.0925
Trichomonas vaginalis	conserved hypothetical protein	0.0118	0.0925	0.5
Brugia malayi	A-kinase anchor protein 10, precursor	0.0118	0.0925	0.0925
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.1068	0.8994	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.0118	0.0925	0.1028
Schistosoma mansoni	regulator of G protein signaling	0.0118	0.0925	0.0925
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0118	0.0925	0.0925
Schistosoma mansoni	serine/threonine protein kinase	0.0121	0.0949	0.0949
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0084	0.0094
Trichomonas vaginalis	conserved hypothetical protein	0.0118	0.0925	0.5
Echinococcus multilocularis	regulator of G protein signaling 3	0.0118	0.0925	0.1028
Schistosoma mansoni	regulator of G protein signaling	0.0118	0.0925	0.0925
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0118	0.0925	0.0925
Echinococcus granulosus	Regulator of G protein signaling 20	0.0118	0.0925	0.1028
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0118	0.0925	0.1028
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0118	0.0925	0.5
Echinococcus granulosus	axis inhibition protein axin	0.0118	0.0925	0.1028
Echinococcus granulosus	regulator of G protein signaling 7	0.0118	0.0925	0.1028
Schistosoma mansoni	loxhd1	0.0019	0.0084	0.0084
Brugia malayi	hypothetical protein	0.0118	0.0925	0.0925
Schistosoma mansoni	serine/threonine protein kinase	0.0121	0.0949	0.0949
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0118	0.0925	0.1028
Echinococcus granulosus	RUN	0.0019	0.0084	0.0094
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0925	0.0925
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0118	0.0925	0.0925
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0084	0.0094
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0118	0.0925	0.0925
Schistosoma mansoni	lipoxygenase	0.0019	0.0084	0.0084
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0084	0.0094
Brugia malayi	regulator of G-protein signaling rgs-7	0.0118	0.0925	0.0925
Schistosoma mansoni	rab6-interacting	0.0019	0.0084	0.0084
Loa Loa (eye worm)	MH2 domain-containing protein	0.014	0.1108	0.1108
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0925	0.0925
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0084	0.5
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0118	0.0925	0.0925
Trichomonas vaginalis	conserved hypothetical protein	0.0118	0.0925	0.5
Entamoeba histolytica	hypothetical protein	0.0118	0.0925	0.5
Echinococcus multilocularis	axis inhibition protein axin	0.0118	0.0925	0.1028
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0118	0.0925	0.0925
Trichomonas vaginalis	conserved hypothetical protein	0.0118	0.0925	0.5
Schistosoma mansoni	polycystin 1-related	0.0019	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0925	0.0925
Echinococcus granulosus	regulator of G protein signaling 3	0.0118	0.0925	0.1028
Schistosoma mansoni	rab6-interacting	0.0019	0.0084	0.0084
Schistosoma mansoni	hypothetical protein	0.0019	0.0084	0.0084

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		Antibacterial activity against Escherichia coli at 2 to 64 ug/ml after 24 hr by agar well diffusion method	ChEMBL.	No reference
Activity (functional)		Antifungal activity against Saccharomyces cerevisiae at 2 to 64 ug/ml after 7 days by agar well diffusion method	ChEMBL.	No reference
IZ (functional)	= 12 mm	Antifungal activity against Candida albicans at 2 to 64 ug/ml after 7 days by agar well diffusion method	ChEMBL.	No reference
MIC (functional)		Antifungal activity against Saccharomyces cerevisiae after 7 days by agar well diffusion method	ChEMBL.	No reference
MIC (functional)		Antibacterial activity against Escherichia coli after 24 hr by agar well diffusion method	ChEMBL.	No reference
MIC (functional)	= 2 ug ml-1	Antifungal activity against Candida albicans after 7 days by agar well diffusion method	ChEMBL.	No reference

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: CHEMBL2296727

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1790071