TDR Targets

Basic information

Technical information

TDR Targets ID: 1804949
Name: 2,6-dimethoxy-N-[5-(4-methylphenyl)-1,3,4-thi adiazol-2-yl]benzamide
MW: 355.411 | Formula: C18H17N3O3S
H donors: 1 H acceptors: 3 LogP: 3.5 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1C(=O)Nc1nnc(s1)c1ccc(cc1)C)OC
InChi: 1S/C18H17N3O3S/c1-11-7-9-12(10-8-11)17-20-21-18(25-17)19-16(22)15-13(23-2)5-4-6-14(15)24-3/h4-10H,1-3H3,(H,19,21,22)
InChiKey: UWEXURYTNACCOD-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

Oprea1_331696
ZINC07319241

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
Giardia lamblia	GTOR	0.0054	0.22	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0054	0.22	0.1954
Loa Loa (eye worm)	ryanodine receptor	0.0032	0.0826	0.1387
Loa Loa (eye worm)	hypothetical protein	0.0095	0.4788	0.804
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0054	0.22	0.887
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0835	0.3368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.1516	0.6113
Trichomonas vaginalis	AGC family protein kinase	0.0058	0.2481	1
Echinococcus multilocularis	ryanodine receptor 44f	0.0065	0.2902	0.7131
Schistosoma mansoni	serine/threonine protein kinase	0.0058	0.2481	0.3131
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.1344	0.5417
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.1344	0.5417
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.11	0.4434
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0058	0.2481	0.4165
Entamoeba histolytica	protein kinase, putative	0.0058	0.2481	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.1344	0.5417
Echinococcus granulosus	ryanodine receptor 44f	0.0065	0.2902	0.7131
Toxoplasma gondii	target of rapamycin (TOR), putative	0.004	0.1344	0.5
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0054	0.22	0.5406
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.22	0.887
Trypanosoma cruzi	inositol 1,4,5-trisphosphate receptor, putative	0.0099	0.5004	1
Brugia malayi	phosphoinositide-dependent protein kinase I	0.0058	0.2481	0.2481
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.1516	0.6113
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0043	0.1519	0.2675
Brugia malayi	Protein kinase domain containing protein	0.0058	0.2481	0.2481
Trypanosoma brucei	inositol 1,4,5-trisphosphate receptor	0.0099	0.5004	1
Schistosoma mansoni	ryanodine receptor related	0.0117	0.6146	0.7757
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0663	0.2672
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.22	0.887
Loa Loa (eye worm)	hypothetical protein	0.0114	0.5956	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.066	0.2661
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.1516	0.6113
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0663	0.2672
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0145	0.7924	1
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0025	0.0439	0.0404
Onchocerca volvulus		0.0018	0	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.1344	0.5417
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0054	0.22	0.22
Echinococcus multilocularis	ryanodine receptor 44f	0.0084	0.407	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.407	0.6834
Loa Loa (eye worm)	phosphatidylinositol 3	0.0054	0.22	0.3694
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0855	0.3447
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	0.0058	0.2481	0.6095
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0054	0.22	0.1954
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0663	0.2672
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0054	0.22	0.887
Echinococcus granulosus	ryanodine receptor 44f	0.0084	0.407	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.22	0.887
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0046	0.1712	0.69
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.1344	0.5417
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0855	0.3447
Schistosoma mansoni	ryanodine receptor 1 skeletal muscle	0.0032	0.0826	0.1042
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.1516	0.6113
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0054	0.22	0.4489
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.1344	0.5417
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.1344	0.5417
Trichomonas vaginalis	AGC family protein kinase	0.0058	0.2481	1
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0095	0.4788	0.6043
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0835	0.3368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.1028	0.4143
Leishmania major	hypothetical protein, conserved	0.0067	0.3037	1
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	0.0058	0.2481	0.6095
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0855	0.3447
Brugia malayi	Ryanodine Receptor TM 4-6 family protein	0.0117	0.6146	0.6146
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0054	0.22	0.4107
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0663	0.2672
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.066	0.2661
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0054	0.22	0.4489
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0054	0.22	0.2777
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0058	0.2481	0.4165
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.066	0.2661
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0054	0.22	0.5406
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0043	0.1516	0.6113
Trichomonas vaginalis	AGC family protein kinase	0.0058	0.2481	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.5822	0.9775
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0054	0.22	0.4107

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: CHEMBL2289045

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1804949