TDR Targets

Basic information

Technical information

TDR Targets ID: 843789
Name: ethyl 2-[4-[[5-(cyclohexyl-methylamino)-1,3,4 -thiadiazol-2-yl]carbamoylamino]phenyl]acetat e
MW: 417.525 | Formula: C20H27N5O3S
H donors: 2 H acceptors: 4 LogP: 3.68 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)Cc1ccc(cc1)NC(=O)Nc1nnc(s1)N(C1CCCCC1)C
InChi: 1S/C20H27N5O3S/c1-3-28-17(26)13-14-9-11-15(12-10-14)21-18(27)22-19-23-24-20(29-19)25(2)16-7-5-4-6-8-16/h9-12,16H,3-8,13H2,1-2H3,(H2,21,22,23,27)
InChiKey: GECRAHIXZUIHQX-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

ethyl 2-[4-[[5-(cyclohexyl-methyl-amino)-1,3,4-thiadiazol-2-yl]carbamoylamino]phenyl]acetate
2-[4-[[[[5-(cyclohexyl-methylamino)-1,3,4-thiadiazol-2-yl]amino]-oxomethyl]amino]phenyl]acetic acid ethyl ester
2-[4-[[5-(cyclohexyl-methyl-amino)-1,3,4-thiadiazol-2-yl]carbamoylamino]phenyl]acetic acid ethyl ester
ethyl 2-[4-[[5-(cyclohexyl-methyl-amino)-1,3,4-thiadiazol-2-yl]carbamoylamino]phenyl]ethanoate

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 granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.002	0.2885	0.3215
Brugia malayi	SH2 domain containing protein	0.0012	0.0782	0.0872
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.002	0.2885	0.3215
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0012	0.0782	0.0872
Brugia malayi	SH2 domain containing protein	0.0012	0.0782	0.0872
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0012	0.0782	0.0872
Onchocerca volvulus		0.002	0.2885	1
Echinococcus granulosus	SH2 motif	0.0012	0.0782	0.0872
Loa Loa (eye worm)	TK/ABL protein kinase	0.002	0.2885	0.3215
Onchocerca volvulus		0.002	0.2885	1
Brugia malayi	RhoGAP domain containing protein	0.0012	0.0782	0.0872
Echinococcus granulosus	tyrosine protein kinase Src64B	0.002	0.2885	0.3215
Echinococcus granulosus	SHC transforming protein 3	0.0012	0.0782	0.0872
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.8236	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.1028	0.1145
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.002	0.2885	0.3215
Schistosoma mansoni	vav2	0.0012	0.0782	0.0782
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0012	0.0782	0.0872
Schistosoma mansoni	tyrosine kinase	0.002	0.2885	0.2885
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Schistosoma mansoni	tyrosine kinase	0.002	0.2885	0.2885
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0012	0.0782	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.1028	0.1028
Echinococcus granulosus	N chimaerin	0.0012	0.0782	0.0872
Brugia malayi	Tensin	0.0012	0.0782	0.0872
Brugia malayi	Variant SH3 domain containing protein	0.0012	0.0782	0.0872
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0012	0.0782	0.0872
Echinococcus granulosus	expressed conserved protein	0.0012	0.0782	0.0872
Loa Loa (eye worm)	TK/FER protein kinase	0.002	0.2885	0.3215
Loa Loa (eye worm)	TK/FER protein kinase	0.002	0.2885	0.3215
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0045	0.8972	1
Echinococcus granulosus	tyrosine protein kinase shark	0.002	0.2885	0.3215
Echinococcus granulosus	tyrosine protein kinase Blk	0.002	0.2885	0.3215
Brugia malayi	hypothetical protein	0.0012	0.0782	0.0872
Echinococcus multilocularis	SH2 motif	0.0012	0.0782	0.0872
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0012	0.0782	0.0872
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.002	0.2885	0.3215
Loa Loa (eye worm)	TK/FER protein kinase	0.002	0.2885	0.3215
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0012	0.0782	0.0872
Onchocerca volvulus		0.002	0.2885	1
Brugia malayi	Variant SH3 domain containing protein	0.0012	0.0782	0.0872
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.002	0.2885	0.3215
Onchocerca volvulus		0.002	0.2885	1
Schistosoma mansoni	tyrosine kinase	0.002	0.2885	0.2885
Echinococcus multilocularis	tyrosine kinase	0.002	0.2885	0.3215
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.002	0.2885	0.3215
Schistosoma mansoni	tensin	0.0012	0.0782	0.0782
Schistosoma mansoni	suppressor of cytokine signaling	0.0012	0.0782	0.0782
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0012	0.0782	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Schistosoma mansoni	shc transforming protein	0.0012	0.0782	0.0782
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.002	0.2885	1
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0012	0.0782	0.0872
Schistosoma mansoni	tensin-related	0.0012	0.0782	0.0782
Echinococcus granulosus	tyrosine kinase	0.002	0.2885	0.3215
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0012	0.0782	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0012	0.0782	0.0872
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0012	0.0782	0.0872
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.002	0.2885	0.3215
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Echinococcus multilocularis	tyrosine protein kinase shark	0.002	0.2885	0.3215
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0012	0.0782	0.0872
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0012	0.0782	0.0872
Schistosoma mansoni	tyrosine kinase	0.002	0.2885	0.2885
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0045	0.8972	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0012	0.0782	0.0782
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0012	0.0782	0.0872
Brugia malayi	protein-tyrosine kinase	0.002	0.2885	0.3215
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0013	0.1028	0.1145
Echinococcus multilocularis	SHC transforming protein 3	0.0012	0.0782	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.002	0.2885	0.3215
Schistosoma mansoni	adapter molecule crk	0.0012	0.0782	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Loa Loa (eye worm)	TK/FER protein kinase	0.002	0.2885	0.3215
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0012	0.0782	0.0872
Echinococcus multilocularis	SH2 motif	0.0012	0.0782	0.0872
Echinococcus multilocularis	tensin	0.0012	0.0782	0.0872
Brugia malayi	SH2 domain containing protein	0.0012	0.0782	0.0872
Schistosoma mansoni	suppressor of cytokine signaling	0.0012	0.0782	0.0782
Schistosoma mansoni	tensin	0.0012	0.0782	0.0782
Schistosoma mansoni	tensin	0.0012	0.0782	0.0782
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.002	0.2885	0.3215
Brugia malayi	SRC-1	0.002	0.2885	0.3215
Schistosoma mansoni	tyrosine kinase	0.002	0.2885	0.2885
Echinococcus multilocularis	N chimaerin	0.0012	0.0782	0.0872
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0012	0.0782	0.0872
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0012	0.0782	0.0782
Brugia malayi	SH2 domain containing protein	0.0012	0.0782	0.0872
Loa Loa (eye worm)	TK/FER protein kinase	0.002	0.2885	0.3215
Loa Loa (eye worm)	TK/FER protein kinase	0.002	0.2885	0.3215
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Echinococcus multilocularis	c src tyrosine kinase	0.002	0.2885	0.3215
Echinococcus granulosus	SH2 domain containing protein 7	0.0012	0.0782	0.0872
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0012	0.0782	0.0872
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.002	0.2885	0.3215
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0012	0.0782	0.0782
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0012	0.0782	0.0782
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0012	0.0782	0.0872
Schistosoma mansoni	hypothetical protein	0.0012	0.0782	0.0782
Loa Loa (eye worm)	SH2 domain-containing protein	0.0012	0.0782	0.0872
Echinococcus multilocularis		0.0012	0.0782	0.0872
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0012	0.0782	0.0872
Schistosoma mansoni	voltage-gated potassium channel	0.0049	1	1
Echinococcus granulosus	c src tyrosine kinase	0.002	0.2885	0.3215
Loa Loa (eye worm)	hypothetical protein	0.002	0.2885	0.3215
Echinococcus multilocularis	tyrosine protein kinase Abl	0.002	0.2885	0.3215
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.002	0.2885	0.3215
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0042	0.8236	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0045	0.8972	1
Echinococcus multilocularis	tyrosine protein kinase Blk	0.002	0.2885	0.3215
Echinococcus multilocularis	voltage gated potassium channel	0.0013	0.1028	0.1145
Echinococcus granulosus	tyrosine protein kinase Fyn	0.002	0.2885	0.3215
Brugia malayi	Variant SH3 domain containing protein	0.0012	0.0782	0.0872
Brugia malayi	cytokine inducible SH2-containing protein 5	0.0012	0.0782	0.0872
Echinococcus granulosus	tyrosine protein kinase Lyn	0.002	0.2885	0.3215
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.002	0.2885	0.3215
Brugia malayi	Variant SH3 domain containing protein	0.0012	0.0782	0.0872
Schistosoma mansoni	GTPase activating protein	0.0012	0.0782	0.0782
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0012	0.0782	0.0782
Echinococcus multilocularis	tyrosine protein kinase Srms	0.002	0.2885	0.3215
Loa Loa (eye worm)	SH2 domain-containing protein	0.0012	0.0782	0.0872
Echinococcus granulosus	tensin	0.0012	0.0782	0.0872
Schistosoma mansoni	nck2/grb4	0.0012	0.0782	0.0782
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.002	0.2885	0.3215
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0012	0.0782	0.0872
Schistosoma mansoni	voltage-gated potassium channel	0.0013	0.1028	0.1028
Brugia malayi	Protein kinase domain containing protein	0.002	0.2885	0.3215
Echinococcus granulosus	NCK adaptor protein	0.0012	0.0782	0.0872
Loa Loa (eye worm)	TK/FER protein kinase	0.002	0.2885	0.3215
Echinococcus granulosus	tyrosine protein kinase Fyn	0.002	0.2885	0.3215
Brugia malayi	SH2 domain containing protein	0.0012	0.0782	0.0872
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.002	0.2885	0.3215
Loa Loa (eye worm)	TK/FER protein kinase	0.002	0.2885	0.3215
Echinococcus multilocularis	tensin	0.0012	0.0782	0.0872
Echinococcus granulosus	tyrosine protein kinase Srms	0.002	0.2885	0.3215
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Brugia malayi	Protein kinase domain containing protein	0.002	0.2885	0.3215
Echinococcus multilocularis	signal transduction protein lnk realted	0.0012	0.0782	0.0872
Echinococcus granulosus	signal transduction protein lnk realted	0.0012	0.0782	0.0872
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.002	0.2885	0.2885
Schistosoma mansoni	hypothetical protein	0.0012	0.0782	0.0782
Brugia malayi	SH2 domain containing protein	0.0012	0.0782	0.0872
Loa Loa (eye worm)	TK protein kinase	0.002	0.2885	0.3215
Brugia malayi	Protein kinase domain containing protein	0.002	0.2885	0.3215
Brugia malayi	Protein kinase domain containing protein	0.002	0.2885	0.3215
Echinococcus granulosus	growth factor receptor bound protein 2	0.0012	0.0782	0.0872
Onchocerca volvulus		0.002	0.2885	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.002	0.2885	0.3215
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0012	0.0782	0.0872
Onchocerca volvulus		0.002	0.2885	1
Schistosoma mansoni	tyrosine kinase	0.002	0.2885	0.2885
Echinococcus granulosus	tyrosine kinase	0.002	0.2885	0.3215
Brugia malayi	SH2 domain containing protein	0.002	0.2885	0.3215
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Loa Loa (eye worm)	SRC-1	0.002	0.2885	0.3215
Brugia malayi	SH2 domain containing protein	0.002	0.2885	0.3215
Echinococcus granulosus	tyrosine protein kinase Src42A	0.002	0.2885	0.3215
Echinococcus granulosus	tyrosine protein kinase Fyn	0.002	0.2885	0.3215
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0045	0.8972	1
Echinococcus granulosus	voltage gated potassium channel	0.0013	0.1028	0.1145
Echinococcus multilocularis	NCK adaptor protein	0.0012	0.0782	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0039	0.7495	0.8354
Brugia malayi	tRNA modification GTPase TrmE family protein	0.0012	0.0782	0.0872
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0012	0.0782	0.0872
Brugia malayi	Sex muscle abnormal protein 5	0.0012	0.0782	0.0872
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.002	0.2885	0.3215
Loa Loa (eye worm)	TK/FER protein kinase	0.002	0.2885	0.3215
Echinococcus granulosus	hypothetical protein	0.0012	0.0782	0.0872
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0012	0.0782	0.0782
Echinococcus granulosus	SH2 motif	0.0012	0.0782	0.0872
Loa Loa (eye worm)	STAT protein	0.0012	0.0782	0.0872
Echinococcus multilocularis	SH2 domain containing protein 7	0.0012	0.0782	0.0872
Loa Loa (eye worm)	SH2 domain-containing protein	0.0012	0.0782	0.0872
Schistosoma mansoni	tensin-related	0.0012	0.0782	0.0782
Schistosoma mansoni	SH2A	0.0012	0.0782	0.0782
Brugia malayi	Protein kinase domain containing protein	0.002	0.2885	0.3215
Echinococcus multilocularis	SH2 motif	0.0012	0.0782	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Schistosoma mansoni	signal transduction protein lnk-related	0.0012	0.0782	0.0782
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.002	0.2885	0.3215
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0013	0.1028	0.1145
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0012	0.0782	0.0872
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872
Echinococcus granulosus	tyrosine protein kinase ABL1	0.002	0.2885	0.3215
Schistosoma mansoni	growth factor receptor-bound protein	0.0012	0.0782	0.0782
Brugia malayi	hypothetical protein	0.002	0.2885	0.3215
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0012	0.0782	0.0872
Loa Loa (eye worm)	TK/FER protein kinase	0.002	0.2885	0.3215
Brugia malayi	SH2 domain containing protein	0.0012	0.0782	0.0872
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0013	0.1028	0.1145
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0012	0.0782	0.0872
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0012	0.0782	0.0872
Brugia malayi	Tyrosine-protein kinase abl-1	0.002	0.2885	0.3215
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.002	0.2885	0.3215
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0782	0.0872

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 843789