TDR Targets

Basic information

Technical information

TDR Targets ID: 696571
Name: 2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylaceto nitrile
MW: 228.273 | Formula: C11H8N4S
H donors: 0 H acceptors: 4 LogP: 1.07 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#CCSc1ccc(nn1)c1cccnc1
InChi: 1S/C11H8N4S/c12-5-7-16-11-4-3-10(14-15-11)9-2-1-6-13-8-9/h1-4,6,8H,7H2
InChiKey: POFUXTORCUJYLJ-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-[6-(3-pyridyl)pyridazin-3-yl]sulfanylacetonitrile
2-[[6-(3-pyridyl)-3-pyridazinyl]thio]acetonitrile
2-[[6-(3-pyridyl)pyridazin-3-yl]thio]acetonitrile
2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylethanenitrile
ZINC05442326

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 brucei	importin beta-1 subunit, putative	0.0029	0.0291	0.4925
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0564	1
Schistosoma mansoni	ran	0.0021	0.0026	0.0026
Brugia malayi	Inositol-1	0.0036	0.0564	0.2635
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.055	0.055
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.055	0.0173
Loa Loa (eye worm)	inositol-1	0.0036	0.0564	0.0564
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.055	0.055
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.4522	0.4522
Loa Loa (eye worm)	beta-lactamase	0.0036	0.055	0.055
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.055	0.055
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0101	0.1397
Brugia malayi	beta-lactamase family protein	0.0036	0.055	0.257
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0101	0.1397
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1078	0.1078
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0892	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0036	0.055	0.055
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.055	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.055	0.9741
Brugia malayi	beta-lactamase family protein	0.0036	0.055	0.257
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0564	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.055	0.055
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.055	0.0173
Brugia malayi	Importin beta-1 subunit	0.0029	0.0291	0.136
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.1078	0.1078
Schistosoma mansoni	hypothetical protein	0.0129	0.3809	0.3809
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.055	0.0173
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0564	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0229	0.7354	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0892	0.0892
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.055	0.0173
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.055	0.0173
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0564	0.0564
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.055	0.9741
Mycobacterium tuberculosis	Conserved protein	0.0036	0.055	0.0173
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0892	0.0892
Mycobacterium tuberculosis	Conserved protein	0.0036	0.055	0.0173
Onchocerca volvulus		0.0036	0.055	1
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0564	0.0564
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0026	0.0026
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0564	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.055	0.055
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0564	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.055	0.9741
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0564	0.0564
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0101	0.1397
Trichomonas vaginalis	esterase, putative	0.0036	0.055	0.9741
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0291	0.0291
Brugia malayi	RNA, U transporter 1	0.0081	0.2141	1
Toxoplasma gondii	ABC1 family protein	0.0036	0.055	0.9741
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0564	1
Brugia malayi	beta-lactamase	0.0036	0.055	0.257
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0564	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0892	0.4164
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0129	0.3809	0.3809
Loa Loa (eye worm)	hypothetical protein	0.0036	0.055	0.055
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.055	0.9741
Onchocerca volvulus		0.0036	0.055	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.055	0.0173
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0892	0.0892
Entamoeba histolytica	hypothetical protein	0.0023	0.0101	0.1397
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0564	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0892	0.0892
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0564	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.055	0.9741
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.055	0.9741
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.1078	0.5036
Schistosoma mansoni	ran	0.0021	0.0026	0.0026
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.055	0.055
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0892	0.0892
Loa Loa (eye worm)	hypothetical protein	0.0036	0.055	0.055
Schistosoma mansoni	thyroid hormone receptor	0.0149	0.4522	0.4522
Mycobacterium tuberculosis	Conserved protein	0.0036	0.055	0.0173
Schistosoma mansoni	importin beta-1	0.0029	0.0291	0.0291
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0512	0.239
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0564	1
Mycobacterium leprae	Probable lipase LipE	0.0036	0.055	1
Leishmania major	hypothetical protein, conserved	0.0036	0.055	0.9741
Schistosoma mansoni	hypothetical protein	0.0305	1	1
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0026	0.0123
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0564	1
Echinococcus multilocularis	importin subunit beta 1	0.0029	0.0291	0.0291
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0101	0.1397
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.055	0.257
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0026	0.5
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0101	0.1397
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.055	0.9741
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0892	0.0892
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0305	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0149	0.4522	0.4522
Trypanosoma brucei	importin beta-1 subunit, putative	0.0029	0.0291	0.4925
Plasmodium falciparum	importin beta, putative	0.0029	0.0291	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0512	0.0512
Echinococcus multilocularis	snurportin 1	0.0305	1	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.055	0.055
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.055	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0512	0.0512
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0026	0.0026
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.1078	0.5036
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0129	0.3809	0.3809
Plasmodium vivax	importin-beta 2, putative	0.0029	0.0291	0.5056
Echinococcus granulosus	importin subunit beta 1	0.0029	0.0291	0.0291
Onchocerca volvulus		0.0036	0.055	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.055	0.055
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0892	0.0892
Toxoplasma gondii	HEAT repeat-containing protein	0.0029	0.0291	0.4925
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0026	0.0026
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.055	0.9741
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.055	0.0173
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0564	0.0564

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 696571