TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 305.304 | Formula: C11H15NO7S
H donors: 4 H acceptors: 5 LogP: -1.54 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ccc(cc1)S(=O)(=O)OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)O
InChi: 1S/C11H15NO7S/c12-6-1-3-7(4-2-6)20(16,17)18-5-8-9(13)10(14)11(15)19-8/h1-4,8-11,13-15H,5,12H2/t8-,9-,10+,11+/m1/s1
InChiKey: VXJVUTXMTUBXNN-ZNSHCXBVSA-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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0238	0.1579
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0977	0.6753
Brugia malayi	amidase	0.007	0.2189	1
Entamoeba histolytica	hypothetical protein	0.004	0.108	0.6249
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.007	0.2189	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.107	0.7408
Echinococcus granulosus	fatty acid amide hydrolase 1	0.007	0.2189	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0048	0.1381	0.9588
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0479	0.1233
Loa Loa (eye worm)	phosphatidylinositol 3	0.005	0.144	0.658
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0479	0.2001
Echinococcus granulosus	fatty acid amide hydrolase 1	0.007	0.2189	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.005	0.144	0.6163
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.1176	0.8147
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0238	0.1579
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0264	0.1208
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0048	0.1381	0.9588
Entamoeba histolytica	hypothetical protein	0.004	0.108	0.6249
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0479	0.022
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0608	0.4171
Trypanosoma brucei	monoglyceride lipase, putative	0.0048	0.1381	0.951
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0048	0.1381	0.9588
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0479	0.022
Schistosoma mansoni	fatty-acid amide hydrolase	0.007	0.2189	1
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0479	0.1233
Plasmodium falciparum	esterase, putative	0.0048	0.1381	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0845	0.5829
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.005	0.144	1
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0048	0.1381	0.9388
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0608	0.4171
Loa Loa (eye worm)	hypothetical protein	0.007	0.2189	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0607	0.4161
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0048	0.1381	0.9588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0977	0.6753
Entamoeba histolytica	hypothetical protein	0.004	0.108	0.6249
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0712	0.4901
Leishmania major	monoglyceride lipase, putative	0.0048	0.1381	0.951
Mycobacterium ulcerans	lysophospholipase	0.0048	0.1381	0.1147
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.144	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0977	0.6753
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0024	0.0487	0.207
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0479	0.022
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0712	0.4901
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0479	0.2187
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.005	0.144	0.6163
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.005	0.144	1
Mycobacterium tuberculosis	Possible lysophospholipase	0.0052	0.1509	0.1309
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.004	0.1072	0.6934
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0479	0.2187
Schistosoma mansoni	amidase	0.007	0.2189	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.005	0.144	1
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0479	0.022
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0479	0.022
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.005	0.144	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.107	0.7408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0013	0.0117	0.0729
Plasmodium falciparum	lysophospholipase, putative	0.0048	0.1381	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.107	0.7408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0977	0.6753
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0017	0.0264	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0023	0.0479	0.1233
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0702	0.4826
Plasmodium vivax	PST-A protein	0.0048	0.1381	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.007	0.2189	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0608	0.4171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0238	0.1579
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0479	0.022
Trypanosoma cruzi	monoglyceride lipase, putative	0.0048	0.1381	0.951
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.108	0.4314
Entamoeba histolytica	hypothetical protein	0.004	0.108	0.6249
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.108	0.4314
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.005	0.144	1
Schistosoma mansoni	hypothetical protein	0.004	0.108	0.4314
Loa Loa (eye worm)	phosphatidylinositol 3	0.0017	0.0238	0.1087
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0264	0.1208
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.005	0.144	0.6163
Plasmodium falciparum	lysophospholipase, putative	0.0048	0.1381	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0479	0.2187
Plasmodium falciparum	lysophospholipase, putative	0.0048	0.1381	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.144	1
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0052	0.1509	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0977	0.6753
Trypanosoma cruzi	target of rapamycin kinase 3	0.004	0.1072	0.6934
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0017	0.0264	0.0035
Mycobacterium ulcerans	hypothetical protein	0.0048	0.1381	0.1147
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.005	0.144	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.005	0.144	0.6163
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0712	0.4901
Trichomonas vaginalis	PIKK family atypical protein kinase	0.005	0.144	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.108	0.4314
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0607	0.4161
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.107	0.7408
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1381	0.9588
Mycobacterium ulcerans	2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD	0.0285	1	1
Onchocerca volvulus		0.0023	0.0479	0.5
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0048	0.1381	0.9588
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0264	0.1208
Trichomonas vaginalis	PIKK family atypical protein kinase	0.004	0.107	0.7408
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0607	0.4161
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0048	0.1381	0.9588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0238	0.1579
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0017	0.0238	0.1579
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0479	0.022
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0977	0.6753
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.004	0.1072	0.6934
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0479	0.0255
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0977	0.6753
Trypanosoma brucei	monoglyceride lipase, putative	0.0048	0.1381	0.951
Loa Loa (eye worm)	hypothetical protein	0.001	0.0013	0.0057
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0479	0.2001
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.005	0.144	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.005	0.144	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0023	0.0479	0.2001
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0264	0.1208
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0021	0.0383	0.1204
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.1381	0.9588
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0806	0.5555
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0037	0.0977	1
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0048	0.1381	0.9388
Brugia malayi	hypothetical protein	0.004	0.108	0.4314
Giardia lamblia	GTOR	0.005	0.144	0.5
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0479	0.022
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0264	0.1208
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0608	0.4171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0702	0.4826
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0479	0.0255

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

ChEMBL: CHEMBL607621

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 1123727