TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 340.356 | Formula: C16H12N4O3S
H donors: 0 H acceptors: 4 LogP: 2.02 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc2c(c1)n1ncc(c1n[n+]2[O-])C(=O)c1cccs1
InChi: 1S/C16H12N4O3S/c1-2-23-10-5-6-12-13(8-10)19-16(18-20(12)22)11(9-17-19)15(21)14-4-3-7-24-14/h3-9H,2H2,1H3
InChiKey: QVHHIXYCBYRTFH-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
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0053	0.0896	0.2237
Toxoplasma gondii	PAN domain-containing protein	0.0285	0.8782	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0031	0.015	0.0374
Echinococcus multilocularis	tachykinin peptides receptor 99D	0.0321	1	1
Brugia malayi	Cathepsin L-like precursor	0.0048	0.0727	0.1816
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0727	0.1498
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.0727	0.8119
Brugia malayi	cathepsin B-like cysteine proteinase	0.0144	0.4003	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0048	0.0727	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.3053	0.7535
Brugia malayi	Kringle domain containing protein	0.0031	0.015	0.0374
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0231	0.2583
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0053	0.0896	1
Entamoeba histolytica	cysteine proteinase, putative	0.0048	0.0727	1
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0031	0.015	0.206
Leishmania major	cathepsin L-like protease	0.0048	0.0727	0.7741
Plasmodium vivax	vivapain-2	0.0048	0.0727	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0231	0.0212
Echinococcus multilocularis	geminin	0.0165	0.4715	0.4715
Toxoplasma gondii	PAN domain-containing protein	0.0285	0.8782	1
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0231	0.0578
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.0727	0.8119
Brugia malayi	MH2 domain containing protein	0.0117	0.3053	0.7627
Echinococcus multilocularis	tissue type plasminogen activator	0.0031	0.015	0.015
Echinococcus granulosus	tissue type plasminogen activator	0.0031	0.015	0.015
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.0727	0.8119
Onchocerca volvulus	Cathepsin F homolog	0.0048	0.0727	0.3709
Onchocerca volvulus		0.0034	0.0231	0.0524
Trypanosoma cruzi	cysteine peptidase, putative	0.0048	0.0727	0.1816
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.0727	0.8119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119
Giardia lamblia	Cathepsin B precursor	0.0053	0.0896	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.0727	0.8119
Leishmania major	cathepsin L-like protease	0.0048	0.0727	0.7741
Onchocerca volvulus		0.0048	0.0727	0.3709
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0048	0.0727	0.0727
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.0727	0.8119
Plasmodium vivax	vivapain-2	0.0048	0.0727	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0048	0.0727	0.1816
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0053	0.0896	0.1899
Loa Loa (eye worm)	ctsf protein	0.0048	0.0727	0.1498
Giardia lamblia	Cathepsin B precursor	0.0053	0.0896	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.0727	0.8119
Schistosoma mansoni	cathepsin F (C01 family)	0.0048	0.0727	0.1542
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0053	0.0896	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0048	0.0727	0.1816
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.0727	0.8119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0048	0.0727	0.8119
Onchocerca volvulus		0.0048	0.0727	0.3709
Leishmania major	cysteine peptidase A (CPA)	0.0048	0.0727	0.7741
Leishmania major	cathepsin L-like protease	0.0048	0.0727	0.7741
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119
Echinococcus multilocularis	cathepsin L cysteine protease	0.0048	0.0727	0.0727
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0048	0.0727	0.1498
Trypanosoma cruzi	cruzipain precursor, putative	0.0048	0.0727	0.1816
Echinococcus granulosus	cathepsin l1	0.0034	0.0231	0.0231
Leishmania major	cathepsin L-like protease	0.0048	0.0727	0.7741
Toxoplasma gondii	cathepsin CPL	0.0048	0.0727	0.0669
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0144	0.4003	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0048	0.0727	0.0727
Brugia malayi	Cathepsin L-like precursor	0.0034	0.0231	0.0578
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.0727	0.8119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119
Entamoeba histolytica	cysteine proteinase, putative	0.0048	0.0727	1
Onchocerca volvulus	Cathepsin L homolog	0.0048	0.0727	0.3709
Schistosoma mansoni	cathepsin F (C01 family)	0.0048	0.0727	0.1542
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0053	0.0896	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.0727	0.8119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119
Onchocerca volvulus		0.0048	0.0727	0.3709
Brugia malayi	Cathepsin L-like precursor	0.0048	0.0727	0.1816
Echinococcus granulosus	cathepsin b	0.0144	0.4003	0.4003
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119
Schistosoma mansoni	hypothetical protein	0.0165	0.4715	1
Onchocerca volvulus	Cathepsin L homolog	0.0048	0.0727	0.3709
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0034	0.0231	0.0578
Schistosoma mansoni	hypothetical protein	0.0031	0.015	0.0318
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0048	0.0727	0.0727
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.0727	0.8119
Onchocerca volvulus		0.0077	0.1707	1
Brugia malayi	Papain family cysteine protease containing protein	0.0048	0.0727	0.1816
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0144	0.4003	0.8489
Leishmania major	cathepsin L-like protease	0.0048	0.0727	0.7741
Onchocerca volvulus		0.0048	0.0727	0.3709
Echinococcus granulosus	geminin	0.0165	0.4715	0.4715
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0144	0.4003	0.8489
Brugia malayi	cathepsin L-like precursor	0.0034	0.0231	0.0578
Trypanosoma cruzi	cysteine peptidase, putative	0.0048	0.0727	0.1816
Echinococcus multilocularis	cysteine protease	0.0048	0.0727	0.0727
Leishmania major	cathepsin L-like protease	0.0048	0.0727	0.7741
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0048	0.0727	0.1498
Echinococcus multilocularis	cathepsin b	0.0144	0.4003	0.4003
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0231	0.0212
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0048	0.0727	1
Brugia malayi	Protein kinase domain containing protein	0.0031	0.015	0.0374
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.0727	0.8119
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.0727	0.8119
Schistosoma mansoni	hypothetical protein	0.0165	0.4715	1
Loa Loa (eye worm)	fibroinase	0.0048	0.0727	0.1498
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.0727	0.8119
Onchocerca volvulus		0.0048	0.0727	0.3709
Leishmania major	cathepsin L-like protease	0.0048	0.0727	0.7741
Plasmodium falciparum	cysteine repeat modular protein 1	0.0031	0.015	0.206
Giardia lamblia	Cathepsin B precursor	0.0053	0.0896	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.3053	0.7535
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.0727	0.8119
Loa Loa (eye worm)	hypothetical protein	0.0144	0.4003	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.0727	0.8119
Brugia malayi	Cathepsin L-like precursor	0.0048	0.0727	0.1816
Echinococcus multilocularis	cysteine protease	0.0048	0.0727	0.0727
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.0727	0.8119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119
Loa Loa (eye worm)	cysteine protease	0.0048	0.0727	0.1498
Schistosoma mansoni	cathepsin F (C01 family)	0.0034	0.0231	0.0491
Echinococcus granulosus	cathepsin l1	0.0048	0.0727	0.0727
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0034	0.0231	0.0578
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0034	0.0231	0.2583
Echinococcus multilocularis	cathepsin b	0.0144	0.4003	0.4003
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.0727	0.8119
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0048	0.0727	1
Echinococcus granulosus	cathepsin b	0.0144	0.4003	0.4003
Loa Loa (eye worm)	cathepsin B	0.0053	0.0896	0.1936
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0231	0.0212
Onchocerca volvulus		0.0048	0.0727	0.3709
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0048	0.0727	0.8119
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0048	0.0727	0.0727
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0048	0.0727	0.0727
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0144	0.4003	0.8489
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0048	0.0727	0.8119
Toxoplasma gondii	cathepsin B	0.0053	0.0896	0.0864
Entamoeba histolytica	cysteine protease, putative	0.0048	0.0727	1
Entamoeba histolytica	cysteine proteinase, putative	0.0034	0.0231	0.3182
Brugia malayi	Cathepsin L-like precursor	0.0048	0.0727	0.1816
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0048	0.0727	0.8119
Brugia malayi	Cathepsin L-like precursor	0.0048	0.0727	0.1816
Brugia malayi	Cathepsin L-like precursor	0.0048	0.0727	0.1816
Leishmania major	cathepsin L-like protease	0.0048	0.0727	0.7741
Onchocerca volvulus		0.0048	0.0727	0.3709
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0144	0.4003	0.8489
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0033	0.0222	0.0471
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0048	0.0727	0.8119

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 45 nM	Displacement of [3H]flumazenil from GABAA/BzR complex in bovine cerebral cortex membrane	ChEMBL.	18325771

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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

Detailed information for compound 513728