TDR Targets

Basic information

Technical information

TDR Targets ID: 842533
Name: 3-ethyl-6-(4-ethylphenyl)-N-(3-methylphenyl)- 6,7-dihydro-5H-[1,2,4]triazolo[3,4-b][1,3,4]t hiadiazine-7-carboxamide
MW: 407.532 | Formula: C22H25N5OS
H donors: 2 H acceptors: 3 LogP: 4.92 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nnc2n1NC(c1ccc(cc1)CC)C(S2)C(=O)Nc1cccc(c1)C
InChi: 1S/C22H25N5OS/c1-4-15-9-11-16(12-10-15)19-20(21(28)23-17-8-6-7-14(3)13-17)29-22-25-24-18(5-2)27(22)26-19/h6-13,19-20,26H,4-5H2,1-3H3,(H,23,28)
InChiKey: VDRLSWYEAXLGSA-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

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		0.0053	0.0562	0.1128
Onchocerca volvulus		0.0008	0.0001	0.5
Loa Loa (eye worm)	TK protein kinase	0.0037	0.0361	0.0724
Schistosoma mansoni	tyrosine kinase	0.0041	0.0407	0.0818
Echinococcus granulosus	c src tyrosine kinase	0.0012	0.0046	0.0091
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0266	0.32	0.6434
Schistosoma mansoni	tyrosine kinase	0.0187	0.2215	0.4454
Onchocerca volvulus		0.0008	0.0001	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0041	0.0407	0.0816
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0012	0.0046	0.0091
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0033	0.0307	0.0616
Loa Loa (eye worm)	SRC-1	0.0041	0.0407	0.0816
Schistosoma mansoni	serine/threonine protein kinase	0.0266	0.32	0.6434
Schistosoma mansoni	tyrosine kinase	0.0008	0.0001	0.0002
Schistosoma mansoni	tyrosine kinase	0.0409	0.4974	1
Echinococcus granulosus	tyrosine protein kinase Blk	0.0037	0.0361	0.0724
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0041	0.0407	0.0816
Loa Loa (eye worm)	TK protein kinase	0.0033	0.0315	0.0631
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0033	0.0315	0.0631
Brugia malayi	Tyrosine-protein kinase abl-1	0.0012	0.0046	0.0091
Brugia malayi	Stress-activated protein kinase jnk-1	0.0266	0.32	0.6434
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0041	0.0407	0.0816
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0187	0.2215	0.4453
Schistosoma mansoni	tyrosine kinase	0.0012	0.0046	0.0093
Echinococcus granulosus	c-Jun N-terminal kinases	0.0266	0.32	0.6434
Brugia malayi	Furin-like cysteine rich region family protein	0.0187	0.2215	0.4453
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0041	0.0407	0.0816
Entamoeba histolytica	protein kinase, putative	0.0033	0.0315	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0041	0.0413	0.0829
Onchocerca volvulus		0.0008	0.0001	0.5
Schistosoma mansoni	tyrosine kinase	0.0182	0.2162	0.4346
Schistosoma mansoni	tyrosine kinase	0.0187	0.2215	0.4454
Echinococcus multilocularis	epidermal growth factor receptor	0.0187	0.2215	0.4453
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0407	0.0816
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0037	0.0361	0.0724
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0012	0.0046	0.0091
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0407	0.0816
Mycobacterium ulcerans	haloalkane dehalogenase	0.0815	1	0.5
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0037	0.0361	0.0724
Brugia malayi	SRC-1	0.0041	0.0407	0.0816
Onchocerca volvulus		0.0008	0.0001	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0041	0.0407	0.0816
Echinococcus multilocularis	c src tyrosine kinase	0.0012	0.0046	0.0091
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0187	0.2215	0.4453
Echinococcus granulosus	epidermal growth factor receptor	0.0187	0.2215	0.4453
Schistosoma mansoni	tyrosine kinase	0.0008	0.0001	0.0002
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0266	0.32	0.6434
Schistosoma mansoni	tyrosine kinase	0.0182	0.2162	0.4346
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0037	0.0361	0.0724
Schistosoma mansoni	tyrosine kinase	0.0187	0.2215	0.4454
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0409	0.4974	1
Echinococcus granulosus	epidermal growth factor receptor	0.0187	0.2215	0.4453
Schistosoma mansoni	tyrosine kinase	0.0041	0.0407	0.0818
Schistosoma mansoni	tyrosine kinase	0.0012	0.0046	0.0093
Echinococcus granulosus	tyrosine kinase	0.0037	0.0361	0.0724
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0041	0.0407	0.0816
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0041	0.0407	0.0816
Onchocerca volvulus		0.0008	0.0001	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0012	0.0046	0.0093
Schistosoma mansoni	tyrosine kinase	0.0409	0.4974	1
Echinococcus granulosus	tyrosine protein kinase HCK	0.0033	0.0315	0.0631
Echinococcus multilocularis	insulin receptor	0.0409	0.4974	1
Brugia malayi	protein-tyrosine kinase	0.0037	0.0361	0.0724
Brugia malayi	Protein kinase domain containing protein	0.0409	0.4974	1
Schistosoma mansoni	tyrosine kinase	0.0182	0.2162	0.4346
Loa Loa (eye worm)	hypothetical protein	0.0223	0.2659	0.5345
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0041	0.0407	0.0816
Loa Loa (eye worm)	TK/INSR protein kinase	0.0409	0.4974	1
Brugia malayi	Protein kinase domain containing protein	0.0227	0.2713	0.5453
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0033	0.0307	0.0616
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0041	0.0407	0.0816
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0041	0.0407	0.0816
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0041	0.0407	0.0816
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0409	0.4974	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0041	0.0407	0.0816
Onchocerca volvulus		0.0008	0.0001	0.5
Echinococcus granulosus	insulin receptor	0.0409	0.4974	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0187	0.2215	0.4453
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0407	0.0816
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0041	0.0407	0.0816
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0012	0.0046	0.0091
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0037	0.0361	0.0724

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 842533