TDR Targets

Basic information

Technical information

TDR Targets ID: 872390
Name: (4-ethylpiperazin-1-yl)-[1-[6-(4-methoxypheny l)imidazo[1,2-d][1,3,4]thiadiazol-2-yl]piperi din-3-yl]methanone
MW: 454.588 | Formula: C23H30N6O2S
H donors: 0 H acceptors: 3 LogP: 3.07 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCN1CCN(CC1)C(=O)C1CCCN(C1)c1nn2c(s1)nc(c2)c1ccc(cc1)OC
InChi: 1S/C23H30N6O2S/c1-3-26-11-13-27(14-12-26)21(30)18-5-4-10-28(15-18)23-25-29-16-20(24-22(29)32-23)17-6-8-19(31-2)9-7-17/h6-9,16,18H,3-5,10-15H2,1-2H3
InChiKey: OQJJKLYMCUIYOO-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

(4-ethylpiperazin-1-yl)-[1-[6-(4-methoxyphenyl)imidazo[1,2-d][1,3,4]thiadiazol-2-yl]-3-piperidyl]methanone
(4-ethyl-1-piperazinyl)-[1-[6-(4-methoxyphenyl)-2-imidazo[1,2-d][1,3,4]thiadiazolyl]-3-piperidinyl]methanone
ChemDiv3_016483

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	uncharacterized sodium dependent transporter	0.0139	0.0035	0.0085
Schistosoma mansoni	hypothetical protein	0.0171	0.0109	0.0109
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.05	0.0868	0.2108
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.1693	0.3617	1
Plasmodium vivax	hypothetical protein, conserved	0.0139	0.0035	0.5
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0171	0.0109	1
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0035	0.0035
Echinococcus granulosus	cytochrome P450 2K1	0.0171	0.0109	0.0265
Brugia malayi	hypothetical protein	0.0139	0.0035	0.0035
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0139	0.0035	0.0035
Loa Loa (eye worm)	cytochrome P450 family protein	0.025	0.0291	0.0291
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.082	0.1605	0.1605
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0139	0.0035	0.0035
Trypanosoma cruzi	cytochrome P450, putative	0.025	0.0291	0.0519
Echinococcus multilocularis	sterol regulatory element binding protein	0.0697	0.1321	0.3208
Echinococcus multilocularis	serotonin receptor	0.1909	0.4118	1
Schistosoma mansoni	hydroxymethylglutaryl-CoA reductase (NADPH)	0.1693	0.3617	0.3617
Loa Loa (eye worm)	CYP4Cod1	0.025	0.0291	0.0291
Schistosoma mansoni	biogenic amine (5HT) receptor	0.1909	0.4118	0.4118
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0035	0.0035
Echinococcus multilocularis	hydroxymethylglutaryl coenzyme A reductase	0.1693	0.3617	0.8785
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0669	0.1257	0.3273
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0048	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0035	0.0035
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0697	0.1321	0.1321
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0139	0.0035	0.0085
Mycobacterium leprae	Conserved hypothetical protein	0.0171	0.0109	0.5
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0794	0.1545	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.05	0.0868	0.0868
Loa Loa (eye worm)	solute carrier family 6 member 4	0.082	0.1605	0.1605
Plasmodium falciparum	amino acid transporter, putative	0.0139	0.0035	0.5
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0139	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0035	0.0035
Schistosoma mansoni	biogenic amine (octopamine/dopamine) receptor	0.446	1	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0139	0.0035	0.0035
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0139	0.0035	0.5
Loa Loa (eye worm)	hypothetical protein	0.446	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0579	0.105	0.105
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0139	0.0035	0.0035
Echinococcus granulosus	sterol regulatory element binding protein	0.0697	0.1321	0.3208
Echinococcus multilocularis	voltage gated potassium channel	0.0145	0.0048	0.0117
Loa Loa (eye worm)	hypothetical protein	0.1909	0.4118	0.4118
Loa Loa (eye worm)	hypothetical protein	0.1693	0.3617	0.3617
Schistosoma mansoni	sodium/chloride dependent transporter	0.0139	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0434	0.0716	0.0716
Schistosoma mansoni	voltage-gated potassium channel	0.0145	0.0048	0.0048
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0139	0.0035	0.0035
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.05	0.0868	0.0868
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0139	0.0035	0.0035
Mycobacterium ulcerans	hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase	0.1693	0.3617	1
Schistosoma mansoni	voltage-gated potassium channel	0.0546	0.0974	0.0974
Echinococcus multilocularis	protein patched	0.0697	0.1321	0.3208
Brugia malayi	Hydroxymethylglutaryl-coenzyme A reductase family protein	0.1693	0.3617	0.3617
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0139	0.0035	0.0035
Loa Loa (eye worm)	hypothetical protein	0.082	0.1605	0.1605
Loa Loa (eye worm)	norepinephrine transporter	0.082	0.1605	0.1605
Loa Loa (eye worm)	hypothetical protein	0.446	1	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.05	0.0868	0.2108
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0139	0.0035	0.0085
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0139	0.0035	0.0035
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0145	0.0048	0.0117
Echinococcus multilocularis	serotonin transporter	0.082	0.1605	0.3899
Echinococcus granulosus	serotonin transporter	0.082	0.1605	0.3899
Plasmodium falciparum	transporter, putative	0.0139	0.0035	0.5
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0139	0.0035	0.0035
Echinococcus multilocularis		0.0171	0.0109	0.0265
Schistosoma mansoni	cytochrome P450	0.0171	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.3635	0.8097	0.8097
Loa Loa (eye worm)	hypothetical protein	0.1909	0.4118	0.4118
Trypanosoma brucei	cytochrome P450, putative	0.025	0.0291	0.0519
Giardia lamblia	3-hydroxy-3-methylglutaryl-coenzyme A reductase	0.0794	0.1545	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.082	0.1605	0.1605
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0139	0.0035	0.0035
Brugia malayi	cytochrome P450	0.0171	0.0109	0.0109
Loa Loa (eye worm)	serotonin transporter b	0.082	0.1605	0.1605
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0794	0.1545	1
Echinococcus granulosus	hydroxymethylglutaryl coenzyme A reductase	0.1693	0.3617	0.8785
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0139	0.0035	0.0085
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0139	0.0035	0.0085
Brugia malayi	Cytochrome P450 family protein	0.025	0.0291	0.0291
Schistosoma mansoni	voltage-gated potassium channel	0.0546	0.0974	0.0974
Echinococcus multilocularis	Niemann Pick C1 protein	0.0697	0.1321	0.3208
Schistosoma mansoni	patched 1	0.0697	0.1321	0.1321
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.025	0.0291	0.0519
Echinococcus granulosus	sodium and chloride dependent glycine	0.0139	0.0035	0.0085
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0697	0.1321	0.1321
Echinococcus multilocularis	protein dispatched 1	0.0697	0.1321	0.3208
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0035	0.0035
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0145	0.0048	0.0117
Loa Loa (eye worm)	hypothetical protein	0.082	0.1605	0.1605
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0139	0.0035	0.0035
Echinococcus granulosus	sodium and chloride dependent glycine	0.0139	0.0035	0.0085
Trypanosoma cruzi	cytochrome P450, putative	0.025	0.0291	0.0519
Brugia malayi	Cytochrome P450 family protein	0.0171	0.0109	0.0109
Schistosoma mansoni	voltage-gated potassium channel	0.0145	0.0048	0.0048
Treponema pallidum	sodium- and chloride- dependent transporter	0.082	0.1605	0.5
Onchocerca volvulus		0.0139	0.0035	0.0218
Brugia malayi	Cytochrome P450 family protein	0.025	0.0291	0.0291
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0622	0.1149	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0139	0.0035	0.0085
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0139	0.0035	0.0035
Trichomonas vaginalis	conserved hypothetical protein	0.0697	0.1321	0.7022
Trypanosoma brucei	3-hydroxy-3-methylglutaryl-CoA reductase, putative	0.1693	0.3617	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.1909	0.4118	1
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0145	0.0048	0.0048
Schistosoma mansoni	sodium/chloride dependent transporter	0.0139	0.0035	0.0035
Brugia malayi	CHE-14 protein	0.0697	0.1321	0.1321
Plasmodium vivax	amine transporter, putative	0.0139	0.0035	0.5
Onchocerca volvulus		0.0139	0.0035	0.0218
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0139	0.0035	0.0085
Loa Loa (eye worm)	hypothetical protein	0.0697	0.1321	0.1321
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0035	0.0035
Echinococcus granulosus	Protein patched homolog 1	0.0697	0.1321	0.3208
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0139	0.0035	0.0085
Leishmania major	3-hydroxy-3-methylglutaryl-CoA reductase	0.1693	0.3617	1
Onchocerca volvulus		0.0139	0.0035	0.0218
Brugia malayi	Cytochrome P450 family protein	0.0579	0.105	0.105
Mycobacterium leprae	putative cytochrome p450	0.0171	0.0109	0.5
Loa Loa (eye worm)	cytochrome P450	0.0171	0.0109	0.0109
Trichomonas vaginalis	3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative	0.0794	0.1545	1
Trypanosoma cruzi	3-hydroxy-3-methylglutaryl-CoA reductase	0.1693	0.3617	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0139	0.0035	0.0035
Leishmania major	cytochrome p450-like protein	0.025	0.0291	0.0519
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0035	0.0035
Schistosoma mansoni	sodium/chloride dependent transporter	0.082	0.1605	0.1605
Onchocerca volvulus		0.082	0.1605	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0669	0.1257	0.3273
Echinococcus granulosus	voltage gated potassium channel	0.0145	0.0048	0.0117
Echinococcus granulosus	Niemann Pick C1 protein	0.0697	0.1321	0.3208
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0139	0.0035	0.0035
Echinococcus multilocularis	serotonin receptor	0.1909	0.4118	1
Loa Loa (eye worm)	hypothetical protein	0.082	0.1605	0.1605
Loa Loa (eye worm)	cytochrome P450 family protein	0.025	0.0291	0.0291
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0139	0.0035	0.0085

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 872390