TDR Targets

Basic information

Technical information

TDR Targets ID: 863310
Name: 7-methyl-N-(2-methylphenyl)-6,7,8,9-tetrahydr o-1H-thiopyrano[4,5-b][1]benzothiole-3-carbox amide
MW: 355.517 | Formula: C20H21NOS2
H donors: 1 H acceptors: 1 LogP: 5.3 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC1CCc2c(C1)sc1c2CSC(=C1)C(=O)Nc1ccccc1C
InChi: 1S/C20H21NOS2/c1-12-7-8-14-15-11-23-19(10-18(15)24-17(14)9-12)20(22)21-16-6-4-3-5-13(16)2/h3-6,10,12H,7-9,11H2,1-2H3,(H,21,22)
InChiKey: TZFIIIWILPCVCI-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

7-methyl-N-(2-methylphenyl)-6,7,8,9-tetrahydro-1H-thiopyrano[4,5-b]benzothiophene-3-carboxamide

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	cathepsin L-like protease	0.1195	0.2339	0.093
Echinococcus granulosus	cathepsin l cysteine peptidase	0.1195	0.2339	0.3721
Onchocerca volvulus		0.1195	0.2339	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1012	0.1553	0.1553
Toxoplasma gondii	cathepsin CPL	0.1195	0.2339	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.2113	0.6285	0.6285
Brugia malayi	Cathepsin L-like precursor	0.1195	0.2339	0.3721
Schistosoma mansoni	cathepsin F (C01 family)	0.1195	0.2339	0.3721
Leishmania major	cathepsin L-like protease	0.2976	1	1
Onchocerca volvulus	Cathepsin F homolog	0.1195	0.2339	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2113	0.6285	1
Onchocerca volvulus		0.1195	0.2339	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2976	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.1195	0.2339	0.3721
Onchocerca volvulus	Cathepsin L homolog	0.1195	0.2339	1
Giardia lamblia	Cathepsin B precursor	0.1012	0.1553	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Loa Loa (eye worm)	cysteine protease	0.1195	0.2339	0.2878
Giardia lamblia	Cathepsin B precursor	0.1012	0.1553	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.1195	0.2339	0.2339
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Brugia malayi	Cathepsin L-like precursor	0.0824	0.0744	0.1184
Echinococcus granulosus	cathepsin b	0.2113	0.6285	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Onchocerca volvulus		0.1195	0.2339	1
Leishmania major	cathepsin L-like protease	0.1195	0.2339	0.093
Brugia malayi	Cathepsin L-like precursor	0.1195	0.2339	0.3721
Trypanosoma cruzi	cysteine peptidase, putative	0.2976	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.2976	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2976	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2976	1	1
Echinococcus granulosus	cathepsin l1	0.1195	0.2339	0.3721
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2976	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Echinococcus multilocularis	cathepsin b	0.2113	0.6285	1
Echinococcus multilocularis	cysteine protease	0.1195	0.2339	0.3721
Brugia malayi	Cathepsin L-like precursor	0.0824	0.0744	0.1184
Onchocerca volvulus		0.1195	0.2339	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.1195	0.2339	0.3721
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2113	0.6285	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1195	0.2339	1
Loa Loa (eye worm)	hypothetical protein	0.2113	0.6285	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0824	0.0744	0.1184
Loa Loa (eye worm)	hypothetical protein	0.1195	0.2339	0.2878
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2976	1	1
Echinococcus granulosus	cathepsin l1	0.0824	0.0744	0.1184
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2976	1	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.2113	0.6285	1
Leishmania major	cathepsin L-like protease	0.2976	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.1195	0.2339	1
Trypanosoma cruzi	cysteine peptidase, putative	0.2976	1	1
Brugia malayi	Cathepsin L-like precursor	0.1195	0.2339	0.3721
Echinococcus multilocularis	cysteine protease	0.1195	0.2339	0.3721
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.1195	0.2339	0.2878
Giardia lamblia	Cathepsin B precursor	0.1012	0.1553	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.2976	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Leishmania major	cathepsin L-like protease	0.1195	0.2339	0.093
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2976	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1195	0.2339	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1195	0.2339	1
Onchocerca volvulus		0.1195	0.2339	1
Loa Loa (eye worm)	ctsf protein	0.1195	0.2339	0.2878
Entamoeba histolytica	cysteine protease, putative	0.1195	0.2339	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Loa Loa (eye worm)	cathepsin B	0.1012	0.1553	0.146
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1195	0.2339	0.3721
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1195	0.2339	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.1195	0.2339	0.3721
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1195	0.2339	1
Brugia malayi	Cathepsin L-like precursor	0.1195	0.2339	0.3721
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.1195	0.2339	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1012	0.1553	0.2472
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.2605	0.8405	0.8405
Onchocerca volvulus	Cathepsin L homolog	0.1195	0.2339	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1195	0.2339	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0824	0.0744	0.1184
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.2113	0.6285	1
Entamoeba histolytica	cysteine proteinase, putative	0.0824	0.0744	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2976	1	1
Leishmania major	cysteine peptidase A (CPA)	0.1195	0.2339	0.093
Plasmodium vivax	vivapain-2	0.1195	0.2339	1
Loa Loa (eye worm)	fibroinase	0.1195	0.2339	0.2878
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2976	1	1
Echinococcus multilocularis	cathepsin b	0.2113	0.6285	1
Entamoeba histolytica	cysteine proteinase, putative	0.1195	0.2339	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.1195	0.2339	0.2878
Entamoeba histolytica	cysteine proteinase, putative	0.1195	0.2339	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1195	0.2339	1
Brugia malayi	Cathepsin L-like precursor	0.1195	0.2339	0.3721
Schistosoma mansoni	cathepsin F (C01 family)	0.1195	0.2339	0.3721
Trypanosoma brucei	cysteine peptidase C (CPC)	0.1012	0.1553	0.1553
Echinococcus multilocularis	cathepsin L cysteine protease	0.1195	0.2339	0.3721
Onchocerca volvulus		0.1195	0.2339	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.1195	0.2339	1
Leishmania major	cathepsin L-like protease	0.1195	0.2339	0.093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0824	0.0744	0.3182
Brugia malayi	Papain family cysteine protease containing protein	0.1195	0.2339	0.3721
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2976	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1195	0.2339	1
Onchocerca volvulus		0.1195	0.2339	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.1012	0.1553	0.6641
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1195	0.2339	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.2113	0.6285	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0824	0.0744	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.1195	0.2339	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.2062	0.6066	0.6066
Echinococcus granulosus	cathepsin b	0.2113	0.6285	1
Brugia malayi	cathepsin L-like precursor	0.0824	0.0744	0.1184
Plasmodium vivax	vivapain-2	0.1195	0.2339	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.2976	1	1
Leishmania major	cathepsin L-like protease	0.1195	0.2339	0.093
Brugia malayi	Cathepsin L-like precursor	0.1195	0.2339	0.3721
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1195	0.2339	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.1195	0.2339	1

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 863310