TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 489.8 | Formula: C20H19Cl3N2O4S
H donors: 1 H acceptors: 4 LogP: 4.32 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)Cl)CCC(=O)N1CCC1(C)C(=O)NS(=O)(=O)c1cccc(c1)Cl
InChi: 1S/C20H19Cl3N2O4S/c1-20(19(27)24-30(28,29)16-4-2-3-14(21)11-16)9-10-25(20)18(26)8-6-13-5-7-15(22)12-17(13)23/h2-5,7,11-12H,6,8-10H2,1H3,(H,24,27)
InChiKey: ATDNGHLYSHNWQW-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
Loa Loa (eye worm)	cysteine protease	0.0073	0.0051	0.0167
Loa Loa (eye worm)	hypothetical protein	0.1052	0.3058	1
Loa Loa (eye worm)	ctsf protein	0.0073	0.0051	0.0167
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.0051	0.0167
Giardia lamblia	Cathepsin B precursor	0.0057	0	0.5
Echinococcus multilocularis	cathepsin b	0.0145	0.0273	0.0825
Brugia malayi	Pepsin A precursor	0.0441	0.1181	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	0.0051	0.1875
Onchocerca volvulus		0.0073	0.0051	0.0245
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.0051	1
Loa Loa (eye worm)	hypothetical protein	0.0441	0.1181	0.3864
Onchocerca volvulus	Cathepsin F homolog	0.0073	0.0051	0.0245
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.1052	0.3058	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.0051	0.0167
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0145	0.0273	0.0273
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.0051	0.0167
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Trypanosoma cruzi	cruzipain precursor, putative	0.0073	0.0051	0.1875
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	0.0051	0.1875
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0441	0.1181	0.1181
Echinococcus granulosus	cathepsin l1	0.0073	0.0051	0.0094
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.0051	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Brugia malayi	hypothetical protein	0.0441	0.1181	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0073	0.0051	0.0167
Schistosoma mansoni	family A2 unassigned peptidase (A02 family)	0.0225	0.0516	0.0516
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0051	0.0167
Brugia malayi	Cathepsin L-like precursor	0.0073	0.0051	0.0245
Leishmania major	cathepsin L-like protease	0.0073	0.0051	1
Schistosoma mansoni	peroxidasin	0.0064	0.0023	0.0023
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.0051	1
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.1052	0.3058	1
Leishmania major	cathepsin L-like protease	0.0073	0.0051	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.1052	0.3058	0.3058
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.0051	1
Onchocerca volvulus		0.0073	0.0051	0.0245
Plasmodium vivax	aspartyl proteinase, putative	0.0441	0.1181	0.3252
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0073	0.0051	0.0167
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	0.0051	0.1875
Leishmania major	cathepsin L-like protease	0.0073	0.0051	1
Entamoeba histolytica	cysteine protease, putative	0.0073	0.0051	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Brugia malayi	Cathepsin L-like precursor	0.0073	0.0051	0.0245
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0441	0.1181	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0441	0.1181	0.1181
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	0.0273	0.0273
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.0051	0.0167
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.1052	0.3058	1
Onchocerca volvulus		0.0073	0.0051	0.0245
Onchocerca volvulus	Cathepsin L homolog	0.0073	0.0051	0.0245
Plasmodium falciparum	plasmepsin II	0.1052	0.3058	0.865
Schistosoma mansoni	cathepsin F (C01 family)	0.0073	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0441	0.1181	0.3864
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.0051	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Onchocerca volvulus	Cathepsin L homolog	0.0073	0.0051	0.0245
Echinococcus multilocularis	cysteine protease	0.0073	0.0051	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Plasmodium falciparum	plasmepsin VII	0.0441	0.1181	0.3252
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0073	0.0051	0.0094
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.0051	1
Entamoeba histolytica	cysteine proteinase, putative	0.0073	0.0051	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Leishmania major	cathepsin L-like protease	0.0073	0.0051	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0073	0.0051	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Echinococcus multilocularis	cysteine protease	0.0073	0.0051	0.0094
Onchocerca volvulus		0.0441	0.1181	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Giardia lamblia	Cathepsin B precursor	0.0057	0	0.5
Toxoplasma gondii	cathepsin CPL	0.0073	0.0051	0.0167
Plasmodium falciparum	plasmepsin IV	0.1052	0.3058	0.865
Brugia malayi	Cathepsin L-like precursor	0.0073	0.0051	0.0245
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0441	0.1181	0.1181
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0441	0.1181	0.1181
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Trypanosoma cruzi	cysteine peptidase, putative	0.0073	0.0051	0.1875
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.0051	0.0167
Echinococcus granulosus	cathepsin b	0.0145	0.0273	0.0825
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.0051	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0073	0.0051	0.0094
Toxoplasma gondii	aspartyl protease	0.0441	0.1181	0.3864
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.0051	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.0051	0.0167
Leishmania major	cathepsin L-like protease	0.0073	0.0051	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0441	0.1181	0.1181
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Onchocerca volvulus		0.0073	0.0051	0.0245
Brugia malayi	Cathepsin L-like precursor	0.0073	0.0051	0.0245
Onchocerca volvulus		0.0073	0.0051	0.0245
Giardia lamblia	Cathepsin B precursor	0.0057	0	0.5
Brugia malayi	Cathepsin L-like precursor	0.0073	0.0051	0.0245
Brugia malayi	hypothetical protein	0.0441	0.1181	1
Schistosoma mansoni	cathepsin D (A01 family)	0.3084	0.9298	0.9298
Schistosoma mansoni	peroxidasin	0.0064	0.0023	0.0023
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	0.0273	0.0273
Brugia malayi	aspartic protease BmAsp-1, identical	0.0441	0.1181	1
Leishmania major	cathepsin L-like protease	0.0073	0.0051	1
Plasmodium vivax	aspartyl protease, putative	0.0686	0.1933	0.5414
Toxoplasma gondii	aspartyl protease ASP3	0.0686	0.1933	0.6322
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.0051	0.0167
Brugia malayi	aspartic protease BmAsp-2, identical	0.0441	0.1181	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Plasmodium falciparum	plasmepsin VI	0.1052	0.3058	0.865
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0441	0.1181	0.1181
Loa Loa (eye worm)	animal heme peroxidase	0.0064	0.0023	0.0074
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0073	0.0051	0.0167
Plasmodium falciparum	plasmepsin X	0.0686	0.1933	0.5414
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0441	0.1181	0.3864
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0073	0.0051	0.0167
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.0051	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0145	0.0273	0.0273
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0145	0.0273	1
Echinococcus multilocularis	cathepsin b	0.0145	0.0273	0.0825
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.1052	0.3058	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.0051	1
Brugia malayi	Papain family cysteine protease containing protein	0.0073	0.0051	0.0245
Entamoeba histolytica	cysteine proteinase, putative	0.0073	0.0051	0.5
Loa Loa (eye worm)	animal heme peroxidase	0.0064	0.0023	0.0074
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.0051	1
Brugia malayi	Cathepsin L-like precursor	0.0073	0.0051	0.0245
Loa Loa (eye worm)	animal heme peroxidase	0.0064	0.0023	0.0074
Plasmodium falciparum	plasmepsin IX	0.0686	0.1933	0.5414
Loa Loa (eye worm)	animal heme peroxidase	0.0064	0.0023	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Loa Loa (eye worm)	aspartyl protease 6	0.0441	0.1181	0.3864
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0073	0.0051	0.0167
Toxoplasma gondii	aspartyl protease ASP1	0.1052	0.3058	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0441	0.1181	0.1181
Schistosoma mansoni	cathepsin F (C01 family)	0.0073	0.0051	0.0051
Loa Loa (eye worm)	blistered cuticle protein 3	0.0064	0.0023	0.0074
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.1052	0.3058	1
Toxoplasma gondii	aspartyl protease ASP5	0.0764	0.2172	0.7103
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0073	0.0051	0.0094
Leishmania major	cysteine peptidase A (CPA)	0.0073	0.0051	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0073	0.0051	0.0167
Plasmodium falciparum	plasmepsin VIII, putative	0.0441	0.1181	0.3252
Echinococcus multilocularis	cathepsin L cysteine protease	0.0073	0.0051	0.0094
Onchocerca volvulus		0.0441	0.1181	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0273	0.0893
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Plasmodium falciparum	plasmepsin III	0.0441	0.1181	0.3252
Echinococcus multilocularis	cathepsin L cysteine protease	0.0073	0.0051	0.0094
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0441	0.1181	0.3864
Plasmodium vivax	aspartyl protease, putative	0.0686	0.1933	0.5414
Schistosoma mansoni	intracisternal A-particle retropepsin (A02 family)	0.1235	0.362	0.362
Loa Loa (eye worm)	fibroinase	0.0073	0.0051	0.0167
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0441	0.1181	0.1181
Plasmodium vivax	aspartyl protease, putative	0.0441	0.1181	0.3252
Plasmodium vivax	plasmepsin V, putative	0.1205	0.3527	1
Echinococcus granulosus	cathepsin b	0.0145	0.0273	0.0825
Onchocerca volvulus		0.0073	0.0051	0.0245
Plasmodium vivax	aspartyl proteinase, putative	0.1052	0.3058	0.865
Onchocerca volvulus		0.0073	0.0051	0.0245
Leishmania major	cathepsin L-like protease	0.0073	0.0051	1
Leishmania major	cathepsin L-like protease	0.0073	0.0051	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Plasmodium falciparum	plasmepsin I	0.1052	0.3058	0.865
Brugia malayi	cathepsin B-like cysteine proteinase	0.0145	0.0273	0.216
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Plasmodium falciparum	plasmepsin V	0.1205	0.3527	1
Schistosoma mansoni	cathepsin D (A01 family)	0.3084	0.9298	0.9298
Plasmodium vivax	plasmepsin IV, putative	0.1052	0.3058	0.865
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0023	0.0074
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0073	0.0051	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	22.3872 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL2142025

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1704254