TDR Targets

Basic information

Technical information

TDR Targets ID: 1700092
Name: N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzot hiazol-2-yl)-N-(2-dimethylaminoethyl)cyclohex anecarboxamide
MW: 389.512 | Formula: C20H27N3O3S
H donors: 0 H acceptors: 2 LogP: 3.91 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCN(C(=O)C1CCCCC1)c1nc2c(s1)cc1c(c2)OCCO1)C
InChi: 1S/C20H27N3O3S/c1-22(2)8-9-23(19(24)14-6-4-3-5-7-14)20-21-15-12-16-17(13-18(15)27-20)26-11-10-25-16/h12-14H,3-11H2,1-2H3
InChiKey: PCCNEMZIKBVAEJ-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
Leishmania major	aldehyde dehydrogenase, putative	0.0004	0.0061	0.0061
Trypanosoma cruzi	aldehyde dehydrogenase family, putative	0.0004	0.0061	1
Onchocerca volvulus		0.003	0.3863	1
Mycobacterium leprae	PROBABLE GAMMA-GLUTAMYL PHOSPHATE REDUCTASE PROTEIN PROA (GPR) (GLUTAMATE-5-SEMIALDEHYDE DEHYDROGENASE) (GLUTAMYL-GAMMA-SEMIALDE	0.0004	0.0061	0.5
Schistosoma mansoni	cpg binding protein	0.0031	0.4112	0.4112
Entamoeba histolytica	aldehyde dehydrogenase 1, putative	0.0004	0.0061	1
Trichomonas vaginalis	hypothetical protein	0.0004	0.0015	0.0319
Trypanosoma brucei	aldehyde dehydrogenase family, putative	0.0004	0.0061	1
Echinococcus multilocularis	aldehyde dehydrogenase family 3 member B1	0.0004	0.0061	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0061	0.0159
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0071	1	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.082	0.2124
Toxoplasma gondii	aldehyde dehydrogenase	0.0071	1	1
Echinococcus multilocularis	betaine aldehyde dehydrogenase	0.0004	0.0061	0.0061
Trypanosoma cruzi	delta-1-pyrroline-5-carboxylate dehydrogenase, putative	0.0004	0.0061	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	1	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0571	0.0571
Loa Loa (eye worm)	delta-1-pyrroline-5-carboxylate dehydrogenase	0.0004	0.0061	0.0159
Entamoeba histolytica	aldehyde-alcohol dehydrogenase 2, putative	0.0004	0.0061	1
Schistosoma mansoni	cpg binding protein	0.0031	0.4112	0.4112
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0838	0.0838
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase 2, putative	0.0003	0	0.5
Brugia malayi	Aldehyde dehydrogenase protein 4	0.0004	0.0061	0.0159
Schistosoma mansoni	aldehyde dehydrogenase	0.0004	0.0061	0.0061
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase, putative	0.0003	0	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0475	1
Echinococcus granulosus	betaine aldehyde dehydrogenase	0.0004	0.0061	0.0061
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0475	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0475	1
Trypanosoma brucei	aldehyde dehydrogenase, putative	0.0004	0.0061	1
Leishmania major	aldehyde dehydrogenase, putative	0.0004	0.0061	0.0061
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	1	1
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase 2, putative	0.0003	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0475	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0063	0.8773	0.8773
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0475	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	1	1
Trypanosoma brucei	aldehyde dehydrogenase, putative	0.0004	0.0061	1
Trypanosoma cruzi	aldehyde dehydrogenase, putative	0.0004	0.0061	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0571	0.0571
Echinococcus multilocularis	succinate semialdehyde dehydrogenase	0.0004	0.0061	0.0061
Brugia malayi	aldehyde dehydrogenase	0.0004	0.0061	0.0159
Trypanosoma cruzi	aldehyde dehydrogenase family, putative	0.0004	0.0061	1
Trypanosoma cruzi	aldehyde dehydrogenase family, putative	0.0004	0.0061	1
Echinococcus multilocularis	Fatty aldehyde dehydrogenase	0.0004	0.0061	0.0061
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0475	1
Onchocerca volvulus	Aldehyde dehydrogenase homolog	0.0004	0.0061	0.0159
Echinococcus multilocularis	succinate semialdehyde dehydrogenase	0.0004	0.0061	0.0061
Schistosoma mansoni	aldehyde dehydrogenase	0.0004	0.0061	0.0061
Trypanosoma cruzi	aldehyde dehydrogenase, putative	0.0004	0.0061	1
Leishmania major	pyrroline-5-carboxylate synthetase-like protein	0.0004	0.0061	0.0061
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0475	1
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase family 2, putative	0.0003	0	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0475	1
Trypanosoma cruzi	aldehyde dehydrogenase, putative	0.0004	0.0061	1
Trichomonas vaginalis	conserved hypothetical protein	0.0004	0.0015	0.0319
Trypanosoma brucei	aldehyde dehydrogenase family, putative	0.0004	0.0061	1
Toxoplasma gondii	methylmalonate-semialdehyde dehydrogenase [acylating], putative	0.0004	0.0061	0.0061
Trypanosoma cruzi	aldehyde dehydrogenase, putative	0.0004	0.0061	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0004	0.0111	0.0111
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase, putative	0.0003	0	0.5
Treponema pallidum	gamma-glutamyl phosphate reductase	0.0004	0.0061	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0475	1
Brugia malayi	Succinate semialdehyde dehydrogenase, mitochondrial precursor	0.0004	0.0061	0.0159
Leishmania major	delta-1-pyrroline-5-carboxylate dehydrogenase, putative	0.0004	0.0061	0.0061
Mycobacterium leprae	PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD	0.0004	0.0061	0.5
Trypanosoma cruzi	delta-1-pyrroline-5-carboxylate dehydrogenase, putative	0.0004	0.0061	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0071	1	1
Brugia malayi	Delta-1-pyrroline-5-carboxylate dehydrogenase, mitochondrial precursor	0.0004	0.0061	0.0159
Echinococcus granulosus	succinate semialdehyde dehydrogenase	0.0004	0.0061	0.0061
Echinococcus granulosus	Fatty aldehyde dehydrogenase	0.0004	0.0061	0.0061
Echinococcus multilocularis	cpg binding protein	0.0031	0.4112	0.4112
Schistosoma mansoni	hypothetical protein	0.0004	0.0061	0.0061
Trypanosoma cruzi	aldehyde dehydrogenase, putative	0.0004	0.0061	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0475	1
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.7781	0.7781
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0838	0.0838
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0475	1
Giardia lamblia	Alcohol dehydrogenase	0.0004	0.0061	1
Entamoeba histolytica	aldehyde-alcohol dehydrogenase 2, putative	0.0004	0.0061	1
Plasmodium vivax	ubiquitin specific protease, putative	0.0003	0	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	1	1
Leishmania major	aldehyde dehydrogenase, putative	0.0004	0.0061	0.0061
Schistosoma mansoni	aldehyde dehydrogenase	0.0004	0.0061	0.0061
Entamoeba histolytica	aldehyde-alcohol dehydrogenase 2, putative	0.0004	0.0061	1
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.3863	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0475	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0571	0.0571
Plasmodium vivax	U4/U6.U5 tri-snRNP-associated protein 2, putative	0.0003	0	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0003	0	0.5
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase, putative	0.0003	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0004	0.0061	0.0159
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase 1, putative	0.0003	0	0.5
Loa Loa (eye worm)	aldehyde dehydrogenase	0.0004	0.0061	0.0159
Trypanosoma cruzi	pyrroline-5-carboxylate synthetase-like protein, putative	0.0004	0.0061	1
Wolbachia endosymbiont of Brugia malayi	bifunctional proline dehydrogenase/pyrroline-5-carboxylate dehydrogenase	0.0004	0.0061	0.5
Trypanosoma cruzi	pyrroline-5-carboxylate synthetase-like protein, putative	0.0004	0.0061	1
Brugia malayi	CXXC zinc finger family protein	0.003	0.3863	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	1	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0571	0.0571
Trichomonas vaginalis	helicase, putative	0.0007	0.0475	1
Echinococcus granulosus	cpg binding protein	0.0031	0.4112	0.4112
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0475	1
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase 13, putative	0.0003	0	0.5
Toxoplasma gondii	gamma-glutamyl phosphate reductase, putative	0.0004	0.0061	0.0061
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0004	0.0015	0.0319
Trichomonas vaginalis	succinate semialdehyde dehydrogenase, putative	0.0004	0.0061	0.1293
Schistosoma mansoni	delta 1-pyrroline-5-carboxylate synthetase	0.0004	0.0061	0.0061
Plasmodium falciparum	U4/U6.U5 tri-snRNP-associated protein 2, putative	0.0003	0	0.5
Mycobacterium leprae	PROBABLE ALDEHYDE DEHYDROGENASE (NAD+) DEPENDENT	0.0004	0.0061	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0475	1
Toxoplasma gondii	aldehyde dehydrogenase (NAD) family protein	0.0004	0.0061	0.0061
Schistosoma mansoni	aldehyde dehydrogenase	0.0004	0.0061	0.0061
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0475	1
Loa Loa (eye worm)	aldehyde dehydrogenase 4	0.0004	0.0061	0.0159
Trypanosoma brucei	delta-1-pyrroline-5-carboxylate dehydrogenase, putative	0.0004	0.0061	1
Schistosoma mansoni	cpg binding protein	0.003	0.3863	0.3863
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0475	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0071	1	1
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase 13, putative	0.0003	0	0.5
Plasmodium vivax	ubiquitin carboxyl-terminal hydrolase, putative	0.0003	0	0.5
Toxoplasma gondii	NADP-dependent succinate-semialdehyde dehydrogenase	0.0004	0.0061	0.0061
Echinococcus granulosus	aldehyde dehydrogenase family 3 member B1	0.0004	0.0061	0.0061
Schistosoma mansoni	aldehyde dehydrogenase	0.0004	0.0061	0.0061
Plasmodium falciparum	ubiquitin carboxyl-terminal hydrolase 14	0.0003	0	0.5
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0838	0.2169
Plasmodium falciparum	ubiquitin specific protease, putative	0.0003	0	0.5
Schistosoma mansoni	succinate semialdehyde dehydrogenase	0.0004	0.0061	0.0061
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0475	1
Plasmodium falciparum	ubiquitin specific protease, putative	0.0003	0	0.5
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0571	0.0571

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

ChEMBL: CHEMBL2220868

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1700092