TDR Targets

Basic information

Technical information

TDR Targets ID: 986797
Name: 2-amino-6-(3-chlorophenyl)sulfanyl-4-thiophen -2-ylpyridine-3,5-dicarbonitrile
MW: 368.863 | Formula: C17H9ClN4S2
H donors: 1 H acceptors: 3 LogP: 4.87 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1c(Sc2cccc(c2)Cl)nc(c(c1c1cccs1)C#N)N
InChi: 1S/C17H9ClN4S2/c18-10-3-1-4-11(7-10)24-17-13(9-20)15(14-5-2-6-23-14)12(8-19)16(21)22-17/h1-7H,(H2,21,22)
InChiKey: DSYKETQQRNDZNV-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

2-amino-6-(3-chlorophenyl)sulfanyl-4-(2-thienyl)pyridine-3,5-dicarbonitrile
2-amino-6-[(3-chlorophenyl)thio]-4-(2-thienyl)pyridine-3,5-dicarbonitrile
2-amino-6-[(3-chlorophenyl)thio]-4-(2-thienyl)dinicotinonitrile
2-amino-6-(3-chlorophenyl)sulfanyl-4-thiophen-2-yl-pyridine-3,5-dicarbonitrile

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
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0328	0.2692	1
Echinococcus granulosus	protein kinase c epsilon type	0.065	0.7791	1
Echinococcus multilocularis	myotubularin protein 13	0.017	0.0182	0.0233
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0477	0.5057	0.6491
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0177	0.0296	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0177	0.0296	1
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0163	0.0077	0.0098
Trichomonas vaginalis	AGC family protein kinase	0.0177	0.0296	1
Echinococcus granulosus	protein kinase c iota type	0.051	0.5576	0.7157
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0165	0.0114	0.0146
Schistosoma mansoni	serine/threonine protein kinase	0.0165	0.0114	0.0146
Trichomonas vaginalis	AGC family protein kinase	0.0177	0.0296	1
Onchocerca volvulus		0.034	0.2881	0.3713
Schistosoma mansoni	serine/threonine protein kinase	0.0165	0.0114	0.0146
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0165	0.0114	0.0114
Schistosoma mansoni	serine/threonine protein kinase	0.065	0.7791	1
Schistosoma mansoni	unc-13 (munc13)	0.0172	0.0225	0.0289
Loa Loa (eye worm)	AGC/PKC/ALPHA protein kinase	0.0286	0.2029	0.2029
Brugia malayi	protein kinase C3,putative	0.0349	0.3029	0.3888
Brugia malayi	p70 ribosomal S6 kinase beta	0.0165	0.0114	0.0146
Echinococcus granulosus	protein kinase C gamma type	0.0447	0.4576	0.5873
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0605	0.7085	0.9094
Echinococcus multilocularis	protein kinase c epsilon type	0.065	0.7791	1
Schistosoma mansoni	vav2	0.017	0.0182	0.0233
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0165	0.0114	0.0146
Echinococcus granulosus	myotubularin protein 13	0.017	0.0182	0.0233
Echinococcus multilocularis	serine threonine protein kinase	0.0447	0.4576	0.5873
Loa Loa (eye worm)	hypothetical protein	0.0624	0.7377	0.7377
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0165	0.0114	0.0114
Brugia malayi	Protein kinase domain containing protein	0.0165	0.0114	0.0146
Echinococcus multilocularis	RNA directed DNA polymerase	0.0267	0.1728	0.2218
Schistosoma mansoni	protein kinase C	0.0172	0.0225	0.0289
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0165	0.0114	0.0114
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0363	0.3246	0.3246
Echinococcus multilocularis	unc 13 (munc13)	0.0172	0.0225	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0624	0.7377	0.7377
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0165	0.0114	0.0146
Onchocerca volvulus		0.051	0.5571	0.7475
Loa Loa (eye worm)	hypothetical protein	0.0426	0.4237	0.4237
Trichomonas vaginalis	AGC family protein kinase	0.0165	0.0114	0.2965
Brugia malayi	Protein kinase domain containing protein	0.0163	0.0077	0.0098
Echinococcus granulosus	serine:threonine protein kinase N2	0.0165	0.0114	0.0146
Echinococcus multilocularis	C2 calcium dependent membrane targeting	0.0172	0.0225	0.0289
Schistosoma mansoni	atypical protein kinase C	0.0524	0.5793	0.7435
Loa Loa (eye worm)	hypothetical protein	0.0624	0.7377	0.7377
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0267	0.1728	0.2218
Trichomonas vaginalis	AGC family protein kinase	0.0165	0.0114	0.2965
Trichomonas vaginalis	AGC family protein kinase	0.0165	0.0114	0.2965
Loa Loa (eye worm)	hypothetical protein	0.017	0.0182	0.0182
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0163	0.0077	0.0098
Schistosoma mansoni	serine/threonine kinase	0.0165	0.0114	0.0146
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0503	0.5466	0.5466
Schistosoma mansoni	serine/threonine protein kinase	0.0165	0.0114	0.0146
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0345	0.2957	0.2957
Schistosoma mansoni	serine/threonine protein kinase	0.0163	0.0077	0.0098
Onchocerca volvulus		0.0498	0.539	0.7221
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0165	0.0114	0.0114
Schistosoma mansoni	unc-13 (munc13)	0.0172	0.0225	0.0289
Brugia malayi	C1-like domain containing protein	0.0503	0.5466	0.7016
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0165	0.0114	0.0114
Entamoeba histolytica	protein kinase, putative	0.0165	0.0114	0.0423
Entamoeba histolytica	protein kinase, putative	0.0165	0.0114	0.0423
Trichomonas vaginalis	AGC family protein kinase	0.0177	0.0296	1
Trichomonas vaginalis	AGC family protein kinase	0.0177	0.0296	1
Echinococcus multilocularis	protein kinase c iota type	0.051	0.5576	0.7157
Trichomonas vaginalis	AGC family protein kinase	0.0177	0.0296	1
Echinococcus granulosus	RNA directed DNA polymerase	0.0267	0.1728	0.2218
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0165	0.0114	0.0146
Onchocerca volvulus		0.0624	0.7377	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0177	0.0296	0.0296
Echinococcus granulosus	C2 calcium dependent membrane targeting	0.0172	0.0225	0.0289
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0503	0.5466	0.7016
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.065	0.7791	0.7791
Loa Loa (eye worm)	hypothetical protein	0.0498	0.539	0.539
Schistosoma mansoni	serine/threonine protein kinase	0.0605	0.7085	0.9094
Loa Loa (eye worm)	hypothetical protein	0.051	0.5571	0.5571
Loa Loa (eye worm)	hypothetical protein	0.034	0.2881	0.2881
Loa Loa (eye worm)	hypothetical protein	0.034	0.2881	0.2881
Echinococcus granulosus	unc 13 munc13	0.0172	0.0225	0.0289
Echinococcus granulosus	NDR protein kinase	0.0165	0.0114	0.0146
Trichomonas vaginalis	AGC family protein kinase	0.0177	0.0296	1
Toxoplasma gondii	AGC kinase	0.0165	0.0114	1
Loa Loa (eye worm)	hypothetical protein	0.0267	0.1728	0.1728
Brugia malayi	Protein kinase c protein 2	0.0445	0.4538	0.5825
Schistosoma mansoni	serine/threonine protein kinase	0.0605	0.7085	0.9094
Brugia malayi	Hr1 repeat family protein	0.0165	0.0114	0.0146
Brugia malayi	Pleckstrin Homology Domain	0.017	0.0182	0.0233
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0165	0.0114	0.0146
Schistosoma mansoni	serine/threonine protein kinase	0.0163	0.0077	0.0098
Entamoeba histolytica	protein kinase, putative	0.0177	0.0296	0.1098
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0165	0.0114	0.0146
Trichomonas vaginalis	AGC family protein kinase	0.0177	0.0296	1
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0165	0.0114	0.0146
Echinococcus granulosus	Protein kinase C brain isozyme	0.0605	0.7085	0.9094
Entamoeba histolytica	protein kinase, putative	0.0177	0.0296	0.1098
Brugia malayi	Protein kinase domain containing protein	0.0165	0.0114	0.0146
Echinococcus granulosus	serine:threonine protein kinase N2	0.0317	0.2511	0.3222
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0165	0.0114	0.0146
Schistosoma mansoni	serine/threonine protein kinase	0.0165	0.0114	0.0146
Schistosoma mansoni	protein kinase C mu	0.0503	0.5466	0.7016
Loa Loa (eye worm)	hypothetical protein	0.0782	0.9886	0.9886
Loa Loa (eye worm)	hypothetical protein	0.0172	0.0225	0.0225
Brugia malayi	protein kinase C II.	0.065	0.7791	1
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0165	0.0114	0.0114
Brugia malayi	Protein kinase domain containing protein	0.0177	0.0296	0.0379

Activities

Activity type	Activity value	Assay description	Source	Reference
RUmax (binding)	= 72.2 %	Binding affinity to mouse prion protein by surface plasmon resonance assay	ChEMBL.	17475368
RUmax (binding)	= 123.6 %	Binding affinity to human prion protein by surface plasmon resonance assay	ChEMBL.	17475368

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: CHEMBL486425

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 986797