TDR Targets

Basic information

Technical information

TDR Targets ID: 702855
Name: 2-ethyl-5-[(4-methylpiperazin-1-yl)-phenylmet hyl]-[1,3]thiazolo[2,3-e][1,2,4]triazol-6-ol
MW: 357.473 | Formula: C18H23N5OS
H donors: 1 H acceptors: 3 LogP: 3.04 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nn2c(n1)sc(c2O)C(c1ccccc1)N1CCN(CC1)C
InChi: 1S/C18H23N5OS/c1-3-14-19-18-23(20-14)17(24)16(25-18)15(13-7-5-4-6-8-13)22-11-9-21(2)10-12-22/h4-8,15,24H,3,9-12H2,1-2H3
InChiKey: FUOJRCLNSMCZRH-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-ethyl-5-[(4-methylpiperazin-1-yl)-phenyl-methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol
2-ethyl-5-[(4-methyl-1-piperazinyl)-phenylmethyl]-6-thiazolo[2,3-e][1,2,4]triazolol
2-ethyl-5-[(4-methylpiperazin-1-yl)-phenyl-methyl]-[1,3]thiazolo[2,3-e][1,2,4]triazol-6-ol

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
Loa Loa (eye worm)	6-phosphofructokinase	0.0114	0.1992	0.2262
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0003
Brugia malayi	phosphofructokinase	0.0114	0.1992	0.2262
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.026	0.0241
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0141	0.257	0.2925
Echinococcus granulosus	tar DNA binding protein	0.0141	0.257	0.6833
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0063	0.0927	0.535
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.009	0.1507	1
Echinococcus granulosus	6 phosphofructokinase	0.0114	0.1992	0.5284
Brugia malayi	hypothetical protein	0.0172	0.3217	0.3667
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0063	0.0927	0.2431
Loa Loa (eye worm)	hypothetical protein	0.005	0.0668	0.0743
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.026	0.0241
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0057	0.0813	0.2125
Echinococcus multilocularis	tar DNA binding protein	0.0141	0.257	0.6833
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0022	0.0014
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0159	0.0706
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2904	0.3308
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0437	0.874	1
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.009	0.1507	0.3984
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0003
Trichomonas vaginalis	phosphofructokinase, putative	0.0114	0.1992	0.1976
Loa Loa (eye worm)	MBCTL1	0.0057	0.0813	0.091
Entamoeba histolytica	phosphofructokinase, putative	0.0114	0.1992	1
Loa Loa (eye worm)	hypothetical protein	0.0172	0.3217	0.3667
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.257	0.4268
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.257	0.4268
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0063	0.0927	0.1518
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0707	0.0789
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0159	0.0706
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0079	0.1277	0.3368
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0159	0.016
Brugia malayi	6-phosphofructokinase	0.0114	0.1992	0.2262
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0159	0.0706
Echinococcus granulosus	SAM and MBT domain containing protein	0.005	0.0668	0.1736
Echinococcus granulosus	muscleblind protein	0.0157	0.2904	0.7727
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0031	0.026	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0057	0.0813	0.2125
Loa Loa (eye worm)	hypothetical protein	0.009	0.1507	0.1705
Echinococcus multilocularis	SAM and MBT domain containing protein	0.005	0.0668	0.1736
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0031	0.026	1
Brugia malayi	mbt repeat family protein	0.005	0.0668	0.0743
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0063	0.0927	0.1518
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0159	0.0706
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0159	0.016
Echinococcus granulosus	polycomb protein SCMH1	0.005	0.0668	0.1736
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0057	0.0813	0.091
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0019	0.0097
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0114	0.1992	1
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0114	0.1992	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0063	0.0927	0.1518
Entamoeba histolytica	phosphofructokinase, putative	0.0114	0.1992	1
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0159	0.016
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0159	0.0706
Loa Loa (eye worm)	6-phosphofructokinase	0.0114	0.1992	0.2262
Brugia malayi	mbt repeat family protein	0.005	0.0668	0.0743
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0813	0.091
Trichomonas vaginalis	phosphofructokinase, putative	0.0114	0.1992	0.1976
Schistosoma mansoni	hypothetical protein	0.0305	0.5996	1
Brugia malayi	Muscleblind-like protein	0.0157	0.2904	0.3308
Leishmania major	ATP-dependent phosphofructokinase	0.0114	0.1992	1
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0079	0.1277	0.1442
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0057	0.0813	0.2125
Plasmodium vivax	SET domain protein, putative	0.0063	0.0927	1
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0668	0.1085
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.009	0.1507	1
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0114	0.1992	1
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0668	0.1085
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0159	0.016
Loa Loa (eye worm)	hypothetical protein	0.0125	0.2235	0.2541
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0022	0.0111
Chlamydia trachomatis	fructose-6-phosphate phosphotransferase	0.0031	0.026	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0003
Onchocerca volvulus		0.0172	0.3217	0.3108
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0707	0.0789
Trichomonas vaginalis	phosphofructokinase, putative	0.0114	0.1992	0.1976
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.006	0.0879	0.2302
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0063	0.0927	0.1518
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.009	0.1507	0.3984
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.009	0.1507	0.3984
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0159	0.0706
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0159	0.0706
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.026	0.0241
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0159	0.0706
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0159	0.0796
Loa Loa (eye worm)	hypothetical protein	0.0125	0.2235	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0363	0.0394
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.026	0.0241
Onchocerca volvulus	Huntingtin homolog	0.0125	0.2235	0.211
Echinococcus multilocularis	6 phosphofructokinase	0.0114	0.1992	0.5284
Echinococcus multilocularis	muscleblind protein 1	0.0157	0.2904	0.7727
Brugia malayi	RNA recognition motif domain containing protein	0.0141	0.257	0.2925
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0198	0.3752	1
Schistosoma mansoni	6-phosphofructokinase	0.0114	0.1992	0.3301
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0927	0.1041
Loa Loa (eye worm)	phosphofructokinase	0.0114	0.1992	0.2262
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0707	0.0789
Onchocerca volvulus		0.005	0.0668	0.0517
Brugia malayi	Pre-SET motif family protein	0.0437	0.874	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0159	0.0706
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0079	0.1277	0.3368
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0003
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0079	0.1277	0.1442
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0114	0.1992	1
Loa Loa (eye worm)	TAR-binding protein	0.0141	0.257	0.2925
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0022	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0157	0.2904	0.3308
Mycobacterium ulcerans	6-phosphofructokinase	0.0114	0.1992	1
Brugia malayi	6-phosphofructokinase	0.0114	0.1992	0.2262
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0159	0.0706
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0198	0.3752	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0057	0.0813	0.2125
Echinococcus granulosus	histone lysine methyltransferase setb	0.0063	0.0927	0.2431
Brugia malayi	RNA binding protein	0.0141	0.257	0.2925
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.257	0.4268
Echinococcus multilocularis	muscleblind protein	0.0157	0.2904	0.7727
Loa Loa (eye worm)	RNA binding protein	0.0141	0.257	0.2925
Onchocerca volvulus		0.0063	0.0927	0.0781
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.005	0.0668	0.0517
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0019	0.0097
Onchocerca volvulus	Huntingtin homolog	0.0125	0.2235	0.211
Trichomonas vaginalis	6-phosphofructokinase, putative	0.0031	0.026	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0707	0.0789
Loa Loa (eye worm)	mbt repeat family protein	0.005	0.0668	0.0743
Entamoeba histolytica	phosphofructokinase, putative	0.0114	0.1992	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0159	0.0706
Brugia malayi	hypothetical protein	0.0125	0.2235	0.2541
Schistosoma mansoni	hypothetical protein	0.0036	0.0363	0.0574
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.026	0.0241
Brugia malayi	TAR-binding protein	0.0141	0.257	0.2925
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0031	0.026	0.1616
Entamoeba histolytica	pyrophosphate-dependent phosphofructokinase	0.0031	0.026	0.1219
Trichomonas vaginalis	set domain proteins, putative	0.0497	1	1
Schistosoma mansoni	6-phosphofructokinase	0.0114	0.1992	0.3301
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.257	0.4268
Trichomonas vaginalis	phosphofructokinase, putative	0.0031	0.026	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0159	0.016
Trichomonas vaginalis	phosphofructokinase, putative	0.0114	0.1992	0.1976
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.005	0.0668	0.1085
Plasmodium vivax	6-phosphofructokinase, putative	0.0031	0.026	0.2627
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0159	0.016
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0031	0.026	1
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0114	0.1992	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0057	0.0813	0.1328
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0063	0.0927	0.2431
Schistosoma mansoni	tar DNA-binding protein	0.0141	0.257	0.4268
Echinococcus multilocularis	polycomb protein SCMH1	0.005	0.0668	0.1736
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0159	0.0706
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0159	0.0796
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0159	0.0706
Brugia malayi	Pre-SET motif family protein	0.0063	0.0927	0.1041
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.009	0.1507	0.2488
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.009	0.1507	0.3984
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0363	0.0394
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0159	0.0706
Plasmodium vivax	6-phosphofructokinase, putative	0.0031	0.026	0.2627

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 702855