TDR Targets

Basic information

Technical information

TDR Targets ID: 618007
Name: 2-[[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-f] pyridazin-6-yl]sulfanyl]-N-(2-phenylethyl)ace tamide
MW: 403.5 | Formula: C22H21N5OS
H donors: 1 H acceptors: 4 LogP: 3.91 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CSc1ccc2n(n1)c(nn2)c1ccc(cc1)C)NCCc1ccccc1
InChi: 1S/C22H21N5OS/c1-16-7-9-18(10-8-16)22-25-24-19-11-12-21(26-27(19)22)29-15-20(28)23-14-13-17-5-3-2-4-6-17/h2-12H,13-15H2,1H3,(H,23,28)
InChiKey: PWGHMEWLZZQOLV-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-[[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]thio]-N-(2-phenylethyl)acetamide
2-[[3-(4-methylphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(2-phenylethyl)ethanamide

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
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0189	0.4256	1
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0095	0.1442	0.5
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0089	0.1261	0.29
Onchocerca volvulus		0.0189	0.4256	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0089	0.1261	0.2775
Loa Loa (eye worm)	hypothetical protein	0.01	0.1582	0.3548
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0189	0.4256	0.3953
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1261	0.2775
Brugia malayi	nuclear receptor NHR-88	0.0089	0.1261	0.2775
Loa Loa (eye worm)	hypothetical protein	0.0189	0.4256	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0189	0.4256	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.01	0.1582	0.1137
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0189	0.4256	0.3953
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1442	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0189	0.4256	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0189	0.4256	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0089	0.1261	0.2775
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0089	0.1261	0.08
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0089	0.1261	0.08
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0501	0.1099
Echinococcus multilocularis	expressed protein	0.038	1	1
Brugia malayi	tailless protein	0.0089	0.1261	0.2775
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0095	0.1442	0.099
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0089	0.1261	0.2775
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0095	0.1442	0.0605
Schistosoma mansoni	nuclear receptor	0.0089	0.1261	0.29
Trypanosoma brucei	polo-like protein kinase	0.0095	0.1442	0.5
Brugia malayi	nuclear hormone receptor	0.0089	0.1261	0.2775
Schistosoma mansoni	retinoic acid receptor RXR	0.0189	0.4256	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0189	0.4256	0.3953
Brugia malayi	hypothetical protein	0.01	0.1582	0.3548
Schistosoma mansoni	nuclear hormone receptor	0.0089	0.1261	0.29
Loa Loa (eye worm)	hypothetical protein	0.01	0.1582	0.3548
Trypanosoma cruzi	polo-like protein kinase, putative	0.0095	0.1442	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0189	0.4256	1
Echinococcus multilocularis	FTZ F1 alpha	0.0189	0.4256	0.3953
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0189	0.4256	0.3953
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0189	0.4256	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0095	0.1442	0.5
Loa Loa (eye worm)	hypothetical protein	0.0189	0.4256	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0189	0.4256	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0089	0.1261	0.08
Brugia malayi	ecdysteroid receptor	0.0189	0.4256	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0501	0.1099
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1261	0.2775
Echinococcus multilocularis	ecdysone induced protein 78C	0.0189	0.4256	0.3953
Schistosoma mansoni	nuclear hormone receptor	0.0189	0.4256	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0189	0.4256	0.3953
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0189	0.4256	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0189	0.4256	0.3953
Loa Loa (eye worm)	nuclear hormone receptor	0.0089	0.1261	0.2775
Brugia malayi	Nuclear hormone receptor E75	0.0089	0.1261	0.2775
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0189	0.4256	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0189	0.4256	1
Loa Loa (eye worm)	DR-78	0.0089	0.1261	0.2775
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1442	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.1582	0.3548
Schistosoma mansoni	nuclear receptor	0.0089	0.1261	0.29
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.01	0.1582	0.1137
Giardia lamblia	Kinase, PLK	0.0095	0.1442	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0089	0.1261	0.08
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0189	0.4256	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0189	0.4256	0.3953
Schistosoma mansoni	hypothetical protein	0.0172	0.3768	0.8842
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0089	0.1261	0.2775
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1261	0.2775
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0189	0.4256	0.3953
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1261	0.2775
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1442	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0189	0.4256	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0189	0.4256	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0501	0.1099
Loa Loa (eye worm)	hypothetical protein	0.01	0.1582	0.3548
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0089	0.1261	0.08
Echinococcus granulosus	thyroid hormone receptor alpha	0.0089	0.1261	0.08
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1261	0.2775
Brugia malayi	nuclear receptor NHR-88	0.0189	0.4256	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1261	0.2775
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0189	0.4256	1
Brugia malayi	nuclear receptor RXR	0.01	0.1582	0.3548
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0189	0.4256	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.0501	0.0943
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0089	0.1261	0.08
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0189	0.4256	1
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1442	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0189	0.4256	1
Brugia malayi	hypothetical protein	0.0089	0.1261	0.2775
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0189	0.4256	0.3953
Loa Loa (eye worm)	RNA binding protein	0.0064	0.0501	0.0943
Brugia malayi	conserved hypotetical protein	0.0089	0.1261	0.2775
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.1442	0.3329
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0089	0.1261	0.08
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1442	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0189	0.4256	0.3953
Brugia malayi	hypothetical protein	0.0089	0.1261	0.2775
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1261	0.2775
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.01	0.1582	0.366
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0089	0.1261	0.08
Schistosoma mansoni	thyroid hormone receptor	0.0189	0.4256	1
Trypanosoma cruzi	polo-like protein kinase, putative	0.0095	0.1442	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0189	0.4256	0.3953
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0189	0.4256	0.3953
Echinococcus granulosus	ecdysone induced protein 78C	0.0189	0.4256	0.3953
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0089	0.1261	0.08
Loa Loa (eye worm)	hypothetical protein	0.01	0.1582	0.3548
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0189	0.4256	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0189	0.4256	0.3953
Echinococcus granulosus	FTZ F1 alpha	0.0189	0.4256	0.3953
Loa Loa (eye worm)	hypothetical protein	0.0189	0.4256	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1261	0.2775
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0501	0.1099
Loa Loa (eye worm)	hypothetical protein	0.0189	0.4256	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0189	0.4256	1
Brugia malayi	nuclear receptor NHR-67	0.0089	0.1261	0.2775
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0089	0.1261	0.29
Brugia malayi	RNA binding protein	0.0064	0.0501	0.0943
Schistosoma mansoni	thyroid hormone receptor	0.0189	0.4256	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1261	0.2775
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.0501	0.0943
Brugia malayi	hypothetical protein	0.01	0.1582	0.3548
Brugia malayi	Nuclear hormone receptor-like 1	0.01	0.1582	0.3548
Onchocerca volvulus	Protein ultraspiracle homolog	0.0189	0.4256	1
Loa Loa (eye worm)	hypothetical protein	0.0189	0.4256	1
Brugia malayi	serine/threonine-protein kinase plk-2	0.0095	0.1442	0.3212
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.0501	0.0943
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0189	0.4256	1
Brugia malayi	nuclear hormone receptor	0.0189	0.4256	1
Onchocerca volvulus	Bile acid receptor homolog	0.0189	0.4256	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1261	0.2775
Brugia malayi	steroid hormone receptor	0.0189	0.4256	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0189	0.4256	1
Brugia malayi	TAR-binding protein	0.0064	0.0501	0.0943
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1442	1
Brugia malayi	ecdysone receptor	0.0089	0.1261	0.2775
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1261	0.2775
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0189	0.4256	1
Schistosoma mansoni	coup transcription factor	0.0189	0.4256	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.0501	0.1099
Loa Loa (eye worm)	steroid hormone receptor	0.0189	0.4256	1
Schistosoma mansoni	hypothetical protein	0.0172	0.3768	0.8842
Echinococcus multilocularis	nuclear receptor nhr 48	0.0089	0.1261	0.08
Loa Loa (eye worm)	hypothetical protein	0.0189	0.4256	1
Loa Loa (eye worm)	hypothetical protein	0.0189	0.4256	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0189	0.4256	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0189	0.4256	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0089	0.1261	0.08
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1261	0.2775
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0189	0.4256	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0089	0.1261	0.29
Echinococcus granulosus	geminin	0.0172	0.3768	0.3439
Echinococcus multilocularis	geminin	0.0172	0.3768	0.3439
Brugia malayi	Steroid receptor seven-up type 2	0.0189	0.4256	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.1261	0.2775
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0189	0.4256	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0089	0.1261	0.2775
Schistosoma mansoni	zinc finger protein	0.0089	0.1261	0.29
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0095	0.1442	0.3212
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0189	0.4256	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0189	0.4256	1
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.1442	1
Loa Loa (eye worm)	hypothetical protein	0.0189	0.4256	1
Brugia malayi	Nuclear hormone receptor-like 1	0.01	0.1582	0.3548
Schistosoma mansoni	nuclear hormone receptor	0.0089	0.1261	0.29
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0189	0.4256	0.3953
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.01	0.1582	0.366
Brugia malayi	Nuclear hormone receptor E75	0.0089	0.1261	0.2775
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0095	0.1442	0.099
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0189	0.4256	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.01	0.1582	0.3548
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0189	0.4256	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0189	0.4256	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0089	0.1261	0.2775
Brugia malayi	nuclear receptor RXR	0.0089	0.1261	0.2775

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 618007