TDR Targets

Basic information

Technical information

TDR Targets ID: 845561
Name: 6-oxo-N-(3-propylsulfanylpropyl)-5H-benzo[b][ 1,4]benzothiazepine-3-carboxamide
MW: 386.531 | Formula: C20H22N2O2S2
H donors: 2 H acceptors: 2 LogP: 4.08 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCSCCCNC(=O)c1ccc2c(c1)NC(=O)c1c(S2)cccc1
InChi: 1S/C20H22N2O2S2/c1-2-11-25-12-5-10-21-19(23)14-8-9-18-16(13-14)22-20(24)15-6-3-4-7-17(15)26-18/h3-4,6-9,13H,2,5,10-12H2,1H3,(H,21,23)(H,22,24)
InChiKey: SYPVZWWPDNIYNZ-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

6-oxo-N-[3-(propylthio)propyl]-5H-benzo[b][1,4]benzothiazepine-3-carboxamide
6-keto-N-[3-(propylthio)propyl]-5H-benzo[b][1,4]benzothiazepine-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
Onchocerca volvulus		0.0064	0.0375	0.3938
Plasmodium vivax	vivapain-2	0.0064	0.0375	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0158	0.1581	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0386	0.1113
Trypanosoma cruzi	cysteine peptidase, putative	0.0158	0.1581	0.451
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0086	0.0654	0.0626
Onchocerca volvulus		0.0064	0.0375	0.3938
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.014	0.1346	0.3827
Schistosoma mansoni	metabotropic glutamate receptor	0.0086	0.0654	0.1886
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0158	0.1581	1
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0126	0.1172	0.1146
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0305	0.3468	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0064	0.0375	0.3823
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0158	0.1581	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0158	0.1581	0.451
Brugia malayi	cathepsin L-like precursor	0.0046	0.014	0.0403
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0064	0.0375	0.3823
Leishmania major	cathepsin L-like protease	0.0158	0.1581	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0064	0.0375	0.3823
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0092	0.0736	0.2123
Echinococcus granulosus	tar DNA binding protein	0.0065	0.0386	0.1035
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0107	0.0931	0.2685
Trypanosoma cruzi	cysteine peptidase, putative	0.0064	0.0375	0.1002
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Loa Loa (eye worm)	glutamate receptor	0.0102	0.0868	0.2503
Entamoeba histolytica	cysteine proteinase, putative	0.0046	0.014	0.3182
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0208	0.06
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0208	0.06
Brugia malayi	Cathepsin L-like precursor	0.0064	0.0375	0.1081
Echinococcus multilocularis	cathepsin L cysteine protease	0.0064	0.0375	0.0346
Brugia malayi	RNA binding protein	0.0065	0.0386	0.1113
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0064	0.0375	0.1081
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0386	0.1113
Echinococcus multilocularis	cysteine protease	0.0064	0.0375	0.0346
Giardia lamblia	Cathepsin B precursor	0.0107	0.0931	0.5
Onchocerca volvulus		0.0092	0.0736	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0107	0.0931	0.2621
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0093	0.0744	0.2145
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0158	0.1581	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0037	0.003	0.0087
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0064	0.0375	0.3823
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1172	0.338
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0158	0.1581	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.0386	0.1113
Brugia malayi	Cathepsin L-like precursor	0.0046	0.014	0.0403
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Schistosoma mansoni	tyrosinase precursor	0.0092	0.0736	0.2123
Entamoeba histolytica	cysteine protease, putative	0.0064	0.0375	1
Loa Loa (eye worm)	ctsf protein	0.0064	0.0375	0.1081
Echinococcus granulosus	cathepsin l1	0.0046	0.014	0.0319
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0064	0.0375	0.3823
Schistosoma mansoni	lipoxygenase	0.0115	0.1025	0.2956
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Onchocerca volvulus	Cathepsin F homolog	0.0064	0.0375	0.3938
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0115	0.1025	0.2894
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0064	0.0375	0.3823
Brugia malayi	metabotropic glutamate receptor type 2	0.005	0.0193	0.0556
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0092	0.0736	0.2123
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0064	0.0375	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0064	0.0375	0.3823
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0158	0.1581	1
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0386	0.1113
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0107	0.0931	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Loa Loa (eye worm)	ShTK domain-containing protein	0.0092	0.0736	0.2123
Brugia malayi	Cathepsin L-like precursor	0.0064	0.0375	0.1081
Schistosoma mansoni	cathepsin F (C01 family)	0.0064	0.0375	0.1081
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0386	0.1113
Brugia malayi	Papain family cysteine protease containing protein	0.0064	0.0375	0.1081
Loa Loa (eye worm)	hypothetical protein	0.0305	0.3468	1
Echinococcus multilocularis	cysteine protease	0.0064	0.0375	0.0346
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0116	0.1048	0.3023
Brugia malayi	Papain family cysteine protease containing protein	0.0037	0.003	0.0087
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0126	0.1172	0.3322
Onchocerca volvulus	Cathepsin L homolog	0.0064	0.0375	0.3938
Brugia malayi	cathepsin B-like cysteine proteinase	0.0305	0.3468	1
Toxoplasma gondii	cathepsin B	0.0107	0.0931	1
Leishmania major	cathepsin L-like protease	0.0158	0.1581	1
Plasmodium vivax	vivapain-2	0.0064	0.0375	1
Onchocerca volvulus		0.0092	0.0736	1
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0102	0.0868	0.2503
Loa Loa (eye worm)	fibroinase	0.0064	0.0375	0.1081
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.0386	0.1113
Brugia malayi	ShTK domain containing protein	0.0092	0.0736	0.2123
Onchocerca volvulus		0.0064	0.0375	0.3938
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0064	0.0375	0.3823
Loa Loa (eye worm)	RNA binding protein	0.0065	0.0386	0.1113
Leishmania major	cathepsin L-like protease	0.0158	0.1581	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0158	0.1581	1
Onchocerca volvulus		0.0064	0.0375	0.3938
Loa Loa (eye worm)	cathepsin B	0.0107	0.0931	0.2685
Brugia malayi	Cathepsin L-like precursor	0.0064	0.0375	0.1081
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0107	0.0931	0.5811
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.0386	0.0357
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0086	0.0654	0.1815
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0064	0.0375	0.3823
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0305	0.3468	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0375	0.1081
Entamoeba histolytica	cysteine proteinase, putative	0.0064	0.0375	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Brugia malayi	TAR-binding protein	0.0065	0.0386	0.1113
Onchocerca volvulus		0.0064	0.0375	0.3938
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0092	0.0736	0.2123
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0736	0.2123
Onchocerca volvulus	Cathepsin L homolog	0.0064	0.0375	0.3938
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0064	0.0375	1
Loa Loa (eye worm)	ShTK domain-containing protein	0.0092	0.0736	0.2123
Onchocerca volvulus		0.0064	0.0375	0.3938
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.014	0.1216
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0092	0.0736	0.2123
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Loa Loa (eye worm)	hypothetical protein	0.0046	0.014	0.0403
Echinococcus multilocularis	cathepsin b	0.0305	0.3468	0.3448
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0208	0.06
Schistosoma mansoni	tyrosinase precursor	0.0092	0.0736	0.2123
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0064	0.0375	0.3823
Echinococcus multilocularis	cathepsin b	0.0305	0.3468	0.3448
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0305	0.3468	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0037	0.003	0.0087
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0107	0.0931	0.4615
Trypanosoma cruzi	cruzipain precursor, putative	0.0158	0.1581	0.451
Giardia lamblia	Cathepsin B precursor	0.0107	0.0931	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0064	0.0375	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0208	0.06
Brugia malayi	Common central domain of tyrosinase family protein	0.0092	0.0736	0.2123
Brugia malayi	Cathepsin L-like precursor	0.0064	0.0375	0.1081
Entamoeba histolytica	cysteine proteinase, putative	0.0064	0.0375	1
Brugia malayi	Cathepsin L-like precursor	0.0064	0.0375	0.1081
Schistosoma mansoni	metabotropic glutamate receptor	0.005	0.0193	0.0556
Echinococcus granulosus	cathepsin l1	0.0064	0.0375	0.1002
Onchocerca volvulus		0.0092	0.0736	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0305	0.3468	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0158	0.1581	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0305	0.3468	1
Brugia malayi	Papain family cysteine protease containing protein	0.0037	0.003	0.0087
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0064	0.0375	0.0346
Trypanosoma cruzi	cysteine peptidase, putative	0.0158	0.1581	0.451
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0046	0.014	0.0403
Echinococcus granulosus	cathepsin b	0.0305	0.3468	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0064	0.0375	0.1002
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0064	0.0375	0.3823
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0736	0.2123
Trypanosoma cruzi	major cysteine proteinase, putative	0.0113	0.1001	0.2825
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0158	0.1581	1
Schistosoma mansoni	lipoxygenase	0.008	0.0582	0.1677
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0037	0.003	0.0087
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0046	0.014	0.1216
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0158	0.1581	1
Loa Loa (eye worm)	cysteine protease	0.0064	0.0375	0.1081
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0064	0.0375	0.3823
Onchocerca volvulus		0.0064	0.0375	0.3938
Loa Loa (eye worm)	glutamate receptor	0.004	0.0069	0.0199
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.0386	0.1113
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0158	0.1581	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.014	0.0403
Brugia malayi	Cathepsin L-like precursor	0.0064	0.0375	0.1081
Loa Loa (eye worm)	hypothetical protein	0.0046	0.014	0.0403
Onchocerca volvulus		0.0092	0.0736	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0064	0.0375	0.1081
Loa Loa (eye worm)	tyrosinase 1	0.0092	0.0736	0.2123
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.0386	0.1113
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0064	0.0375	0.0346
Schistosoma mansoni	cathepsin F (C01 family)	0.0046	0.014	0.0403
Echinococcus granulosus	cathepsin b	0.0305	0.3468	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0115	0.1025	0.0998
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0064	0.0375	0.1002
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0064	0.0375	0.1081
Brugia malayi	Cathepsin L-like precursor	0.0046	0.014	0.0403
Giardia lamblia	Cathepsin B precursor	0.0107	0.0931	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0064	0.0375	0.0346

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 845561