TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 273.264 | Formula: C13H7NO4S
H donors: 1 H acceptors: 3 LogP: 1.83 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1NC(=O)/C(=C\c2coc3c(c2=O)cccc3)/S1
InChi: 1S/C13H7NO4S/c15-11-7(5-10-12(16)14-13(17)19-10)6-18-9-4-2-1-3-8(9)11/h1-6H,(H,14,16,17)/b10-5+
InChiKey: RRGNBDARMIMGAY-BJMVGYQFSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Brugia malayi	Cathepsin L-like precursor	0.0062	0.0855	0.1925
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0091	0.1993	1
Brugia malayi	mbt repeat family protein	0.0048	0.0302	0.0635
Leishmania major	cathepsin L-like protease	0.0091	0.1993	1
Brugia malayi	Papain family cysteine protease containing protein	0.0049	0.0324	0.0687
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0049	0.0324	0.0324
Trypanosoma brucei	cysteine peptidase C (CPC)	0.006	0.0774	0.2697
Onchocerca volvulus		0.0091	0.1993	1
Onchocerca volvulus		0.0091	0.1993	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0091	0.1993	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0091	0.1993	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Brugia malayi	Cathepsin L-like precursor	0.0091	0.1993	0.4576
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0091	0.1993	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0855	0.1925
Trypanosoma cruzi	cruzipain precursor, putative	0.0091	0.1993	0.4176
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.019	0.5917	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0091	0.1993	1
Brugia malayi	Cathepsin L-like precursor	0.0091	0.1993	0.4576
Trypanosoma cruzi	cysteine peptidase, putative	0.0091	0.1993	0.4176
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.019	0.5917	1
Echinococcus granulosus	cathepsin L	0.0049	0.0324	0.0039
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0855	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0049	0.0324	0.0039
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0091	0.1993	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0091	0.1993	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0062	0.0855	0.1925
Schistosoma mansoni	cathepsin F (C01 family)	0.0091	0.1993	0.1993
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0091	0.1993	0.3011
Echinococcus multilocularis	cathepsin L	0.0049	0.0324	0.0039
Onchocerca volvulus		0.0091	0.1993	1
Loa Loa (eye worm)	cathepsin B	0.006	0.0774	0.1736
Echinococcus multilocularis	cathepsin L cysteine protease	0.0091	0.1993	0.3011
Loa Loa (eye worm)	hypothetical protein	0.0149	0.432	1
Echinococcus granulosus	cysteine protease	0.0049	0.0324	0.0039
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.0566	0.0471
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0149	0.432	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0091	0.1993	1
Loa Loa (eye worm)	fibroinase	0.0091	0.1993	0.4576
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0062	0.0854	0.0983
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.0566	0.1251
Giardia lamblia	Cathepsin B precursor	0.006	0.0774	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0062	0.0855	0.3182
Echinococcus multilocularis	cysteine protease	0.0091	0.1993	0.3011
Leishmania major	cathepsin L-like protease	0.0091	0.1993	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0091	0.1993	0.4176
Entamoeba histolytica	cysteine protease, putative	0.0091	0.1993	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0091	0.1993	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0091	0.1993	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0091	0.1993	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0091	0.1993	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.006	0.0774	0.2697
Brugia malayi	cathepsin L-like precursor	0.0062	0.0855	0.1925
Leishmania major	cathepsin L-like protease	0.0091	0.1993	1
Entamoeba histolytica	cysteine proteinase, putative	0.0091	0.1993	1
Leishmania major	cathepsin L-like protease	0.0091	0.1993	1
Leishmania major	cathepsin L-like protease	0.0091	0.1993	1
Giardia lamblia	Cathepsin B precursor	0.006	0.0774	0.5
Onchocerca volvulus		0.0091	0.1993	1
Entamoeba histolytica	cysteine proteinase, putative	0.0091	0.1993	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0091	0.1993	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0091	0.1993	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0091	0.1993	0.3011
Echinococcus multilocularis	cysteine protease	0.0091	0.1993	0.3011
Onchocerca volvulus		0.0091	0.1993	1
Leishmania major	cysteine peptidase A (CPA)	0.0091	0.1993	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0091	0.1993	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0091	0.1993	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.006	0.0774	0.0774
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0091	0.1993	1
Brugia malayi	Papain family cysteine protease containing protein	0.0091	0.1993	0.4576
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0091	0.1993	0.4576
Onchocerca volvulus		0.0091	0.1993	1
Toxoplasma gondii	cathepsin CPL	0.0091	0.1993	1
Onchocerca volvulus	Cathepsin L homolog	0.0091	0.1993	1
Brugia malayi	Cathepsin L-like precursor	0.0091	0.1993	0.4576
Echinococcus multilocularis	cathepsin L cysteine protease	0.0091	0.1993	0.3011
Loa Loa (eye worm)	MBCTL1	0.0055	0.0566	0.1251
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0855	0.1925
Loa Loa (eye worm)	hypothetical protein	0.0091	0.1993	0.4576
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0049	0.0324	0.0324
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0062	0.0854	0.0983
Brugia malayi	Cathepsin L-like precursor	0.0091	0.1993	0.4576
Plasmodium vivax	vivapain-2	0.0091	0.1993	1
Leishmania major	cathepsin L-like protease	0.0091	0.1993	1
Echinococcus multilocularis	cathepsin b	0.0149	0.432	0.7156
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0091	0.1993	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0091	0.1993	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0091	0.1993	0.3011
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0302	0.0302
Brugia malayi	cathepsin B-like cysteine proteinase	0.0149	0.432	1
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.0302	0.0302
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.0566	0.0471
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Loa Loa (eye worm)	cysteine protease	0.0091	0.1993	0.4576
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0049	0.0324	0.0324
Schistosoma mansoni	cathepsin F (C01 family)	0.0062	0.0855	0.0855
Leishmania major	cathepsin L-like protease	0.0091	0.1993	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0149	0.432	0.432
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0091	0.1993	1
Echinococcus multilocularis	cathepsin b	0.0149	0.432	0.7156
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0566	0.1251
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0149	0.432	0.432
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0302	0.0302
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0091	0.1993	0.4576
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.006	0.0774	0.1126
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.0302	0.0635
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0091	0.1993	1
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0855	0.1925
Loa Loa (eye worm)	ctsf protein	0.0091	0.1993	0.4576
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0091	0.1993	0.3011
Giardia lamblia	Cathepsin B precursor	0.006	0.0774	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0062	0.0855	0.3182
Echinococcus granulosus	cathepsin l1	0.0091	0.1993	0.3011
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0091	0.1993	1
Echinococcus granulosus	cathepsin b	0.0149	0.432	0.7156
Onchocerca volvulus	Cathepsin F homolog	0.0091	0.1993	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0091	0.1993	1
Onchocerca volvulus		0.0091	0.1993	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0091	0.1993	0.1993
Brugia malayi	Cathepsin L-like precursor	0.0091	0.1993	0.4576
Trypanosoma cruzi	cysteine peptidase, putative	0.0091	0.1993	0.4176
Brugia malayi	mbt repeat family protein	0.0048	0.0302	0.0635
Brugia malayi	Papain family cysteine protease containing protein	0.0049	0.0324	0.0687
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0149	0.432	0.432
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0091	0.1993	1
Brugia malayi	Cathepsin L-like precursor	0.0091	0.1993	0.4576
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0091	0.1993	1
Echinococcus granulosus	cathepsin b	0.0149	0.432	0.7156
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0091	0.1993	1
Echinococcus granulosus	cathepsin l1	0.0062	0.0855	0.0985
Onchocerca volvulus	Cathepsin L homolog	0.0091	0.1993	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0302	0.0635
Plasmodium vivax	vivapain-2	0.0091	0.1993	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.0566	0.0471
Trypanosoma cruzi	cysteine peptidase, putative	0.0091	0.1993	0.4176
Brugia malayi	Cathepsin L-like precursor	0.0062	0.0855	0.1925
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0149	0.432	0.432
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.0566	0.0471
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.0566	0.0566
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0062	0.0855	0.1329
Onchocerca volvulus		0.0062	0.0855	0.3271
Leishmania major	cathepsin L-like protease	0.0091	0.1993	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 42.4 %	Inhibition of aldose reductase in Albino rat kidney assessed as decrease in NADPH concentration by spectrophotometrically	ChEMBL.	18313804

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: CHEMBL477215

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 980456