TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 367.415 | Formula: C14H25NO8S
H donors: 0 H acceptors: 2 LogP: -0.25 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CN(S(=O)(=O)OC[C@]12OC[C@@H]3C(C2OC(O1)(C)C)OC(O3)(C)C)C
InChi: 1S/C14H25NO8S/c1-12(2)20-9-7-18-14(8-19-24(16,17)15(5)6)11(10(9)21-12)22-13(3,4)23-14/h9-11H,7-8H2,1-6H3/t9-,10?,11?,14+/m1/s1
InChiKey: RKJMBQKJKRDATB-YGKZZAKBSA-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)	glutaminase	0.0298	0.5693	0.5693
Schistosoma mansoni	tar DNA-binding protein	0.028	0.5315	0.933
Schistosoma mansoni	hypothetical protein	0.0117	0.1888	0.325
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0117	0.1888	0.1888
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0042	0.0301	0.0301
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0053	0.0534	0.0911
Echinococcus granulosus	lysosomal alpha glucosidase	0.0187	0.3368	0.6298
Echinococcus granulosus	peregrin	0.0033	0.0132	0.0146
Entamoeba histolytica	hypothetical protein	0.0037	0.0202	0.6713
Echinococcus multilocularis	thyroid hormone receptor alpha	0.015	0.2576	0.4793
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0117	0.1888	0.3484
Trypanosoma brucei	glucosidase, putative	0.0042	0.0301	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.1117	0.1117
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.008	0.1117	0.2018
Echinococcus granulosus	neutral alpha glucosidase AB	0.0042	0.0301	0.0468
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0187	0.0251
Schistosoma mansoni	smad	0.0034	0.0147	0.0163
Echinococcus multilocularis	peregrin	0.0033	0.0132	0.0146
Schistosoma mansoni	tar DNA-binding protein	0.028	0.5315	0.933
Schistosoma mansoni	hypothetical protein	0.0117	0.1888	0.325
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.008	0.1117	0.5
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0147	0.0163
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0053	0.0534	0.4785
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0187	0.3368	0.6298
Loa Loa (eye worm)	Smad1	0.0034	0.0147	0.0147
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.008	0.1117	0.5
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0055	0.0055
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0187	0.0187
Brugia malayi	Latrophilin receptor protein 2	0.0117	0.1888	0.1888
Echinococcus multilocularis	geminin	0.0173	0.308	0.575
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0148	0.2551	0.4745
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.008	0.1117	1
Echinococcus granulosus	tar DNA binding protein	0.028	0.5315	1
Echinococcus granulosus	jumonji domain containing protein	0.0042	0.0301	0.0468
Schistosoma mansoni	thyroid hormone receptor	0.015	0.2576	0.4472
Plasmodium falciparum	histone acetyltransferase GCN5	0.004	0.0269	0.2347
Loa Loa (eye worm)	hypothetical protein	0.0369	0.7205	0.7205
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0028	0.0009	0.0079
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0042	0.0301	0.0468
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0202	0.028
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0034	0.0147	0.0175
Echinococcus multilocularis	GPCR, family 2	0.0117	0.1888	0.3484
Leishmania major	alpha glucosidase II subunit, putative	0.0042	0.0301	1
Echinococcus multilocularis	tar DNA binding protein	0.028	0.5315	1
Schistosoma mansoni	alpha-glucosidase	0.0161	0.2819	0.4902
Schistosoma mansoni	peptidase Clp (S14 family)	0.008	0.1117	0.1883
Schistosoma mansoni	tar DNA-binding protein	0.028	0.5315	0.933
Schistosoma mansoni	glutaminase	0.0298	0.5693	1
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0202	0.0261
Brugia malayi	Probable ClpP-like protease	0.008	0.1117	0.1117
Loa Loa (eye worm)	hypothetical protein	0.0117	0.1888	0.1888
Brugia malayi	Bromodomain containing protein	0.0033	0.0132	0.0132
Brugia malayi	hypothetical protein	0.0037	0.0202	0.0202
Echinococcus granulosus	Smad4	0.0034	0.0147	0.0175
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0129	0.2141	0.3965
Entamoeba histolytica	acetyltransferase, GNAT family	0.004	0.0269	0.8929
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0369	0.7205	0.7205
Echinococcus granulosus	peptidase Clp S14 family	0.0053	0.0534	0.0911
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0053	0.0534	1
Schistosoma mansoni	alpha glucosidase	0.0042	0.0301	0.0436
Loa Loa (eye worm)	transcription factor SMAD2	0.0502	1	1
Brugia malayi	RNA binding protein	0.028	0.5315	0.5315
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0187	0.0251
Brugia malayi	MH1 domain containing protein	0.0034	0.0147	0.0147
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0044	0.0345	0.3038
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0504	0.0504
Loa Loa (eye worm)	hypothetical protein	0.003	0.0055	0.0055
Schistosoma mansoni	jumonji domain containing protein	0.0078	0.1062	0.1786
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0301	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0117	0.1888	0.1888
Loa Loa (eye worm)	MH2 domain-containing protein	0.0502	1	1
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.008	0.1117	0.1962
Brugia malayi	MH2 domain containing protein	0.0034	0.0147	0.0147
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.028	0.5315	0.5315
Loa Loa (eye worm)	MH2 domain-containing protein	0.0034	0.0147	0.0147
Echinococcus granulosus	muscleblind protein	0.0153	0.2647	0.4927
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0301	0.5
Brugia malayi	glutaminase DH11.1	0.0298	0.5693	0.5693
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0187	0.3368	0.3368
Loa Loa (eye worm)	RNA binding protein	0.028	0.5315	0.5315
Echinococcus multilocularis	Smad4	0.0034	0.0147	0.0175
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0129	0.2141	0.3965
Onchocerca volvulus	Alhambra homolog	0.003	0.0055	0.0322
Loa Loa (eye worm)	acetyltransferase	0.0148	0.2551	0.2551
Brugia malayi	Muscleblind-like protein	0.0153	0.2647	0.2647
Plasmodium falciparum	phd finger protein, putative	0.003	0.0055	0.0417
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0117	0.1888	0.3484
Loa Loa (eye worm)	glutaminase 2	0.0298	0.5693	0.5693
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0034	0.0147	0.0175
Echinococcus granulosus	geminin	0.0173	0.308	0.575
Brugia malayi	PHD-finger family protein	0.003	0.0055	0.0055
Brugia malayi	jmjC domain containing protein	0.0036	0.0187	0.0187
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0044	0.0345	0.3038
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0117	0.1888	0.3484
Echinococcus granulosus	GPCR family 2	0.0117	0.1888	0.3484
Brugia malayi	Smad1	0.0034	0.0147	0.0147
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0098	0.1485	0.2719
Schistosoma mansoni	hypothetical protein	0.0173	0.308	0.5365
Entamoeba histolytica	hypothetical protein	0.0037	0.0202	0.6713
Loa Loa (eye worm)	TAR-binding protein	0.028	0.5315	0.5315
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0187	0.3368	0.6298
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0098	0.1485	0.2719
Schistosoma mansoni	Smad4	0.0034	0.0147	0.0163
Brugia malayi	jmjC domain containing protein	0.0098	0.1485	0.1485
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.008	0.1117	0.2018
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0369	0.7205	0.7205
Echinococcus granulosus	mothers against decapentaplegic 5	0.0034	0.0147	0.0175
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0147	0.0163
Trichomonas vaginalis	glutaminase, putative	0.0298	0.5693	1
Brugia malayi	RNA recognition motif domain containing protein	0.028	0.5315	0.5315
Brugia malayi	MH1 domain containing protein	0.0034	0.0147	0.0147
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0148	0.2551	0.4427
Echinococcus multilocularis	jumonji domain containing protein	0.0042	0.0301	0.0468
Loa Loa (eye worm)	MH1 domain-containing protein	0.0034	0.0147	0.0147
Schistosoma mansoni	tar DNA-binding protein	0.028	0.5315	0.933
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0044	0.0345	0.0082
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0117	0.1888	0.3484
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0044	0.0345	0.3038
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0144	0.2464	0.4579
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0187	0.0235
Schistosoma mansoni	thyroid hormone receptor	0.015	0.2576	0.4472
Echinococcus multilocularis	muscleblind protein 1	0.0153	0.2647	0.4927
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.008	0.1117	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0202	0.028
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.008	0.1117	1
Echinococcus granulosus	smad	0.0034	0.0147	0.0175
Schistosoma mansoni	hypothetical protein	0.0117	0.1888	0.325
Entamoeba histolytica	hypothetical protein	0.0037	0.0202	0.6713
Brugia malayi	latrophilin 2 splice variant baaae	0.0253	0.4744	0.4744
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0044	0.0345	0.0552
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.008	0.1117	1
Loa Loa (eye worm)	hypothetical protein	0.0153	0.2647	0.2647
Giardia lamblia	Histone acetyltransferase GCN5	0.004	0.0269	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0055	0.0417
Schistosoma mansoni	alpha-glucosidase	0.0161	0.2819	0.4902
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0053	0.0534	1
Loa Loa (eye worm)	hypothetical protein	0.0153	0.2647	0.2647
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0042	0.0301	0.0301
Loa Loa (eye worm)	jmjC domain-containing protein	0.0062	0.0724	0.0724
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0034	0.0147	0.0175
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0042	0.0301	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0187	0.0235
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.008	0.1117	0.1962
Schistosoma mansoni	smad1 5 8 and	0.0034	0.0147	0.0163
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0369	0.7205	0.7205
Brugia malayi	MH2 domain containing protein	0.0034	0.0147	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0253	0.4744	0.4744
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0042	0.0301	1
Schistosoma mansoni	hypothetical protein	0.0117	0.1888	0.325
Schistosoma mansoni	hypothetical protein	0.0253	0.4744	0.8316
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0055	0.0417
Onchocerca volvulus		0.0108	0.1706	1
Entamoeba histolytica	hypothetical protein	0.0037	0.0202	0.6713
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0187	0.3368	0.3368
Schistosoma mansoni	hypothetical protein	0.0037	0.0202	0.0261
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.008	0.1117	0.5
Mycobacterium ulcerans	glutaminase	0.0298	0.5693	1
Echinococcus multilocularis	muscleblind protein	0.0153	0.2647	0.4927
Brugia malayi	acetyltransferase, GNAT family protein	0.0148	0.2551	0.2551
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0034	0.0147	0.0163
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0055	0.0417
Schistosoma mansoni	hypothetical protein	0.0173	0.308	0.5365
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0042	0.0301	0.2638
Brugia malayi	TAR-binding protein	0.028	0.5315	0.5315
Schistosoma mansoni	tar DNA-binding protein	0.028	0.5315	0.933
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0044	0.0345	0.0082
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.008	0.1117	1
Schistosoma mansoni	hypothetical protein	0.0129	0.2141	0.3699
Echinococcus multilocularis	smad	0.0034	0.0147	0.0175
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.008	0.1117	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Block (functional)	= 30 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 30 min followed by 200 mg/kg peroral dose	ChEMBL.	3572976
Block (functional)	= 30 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 30 min followed by 100 mg/kg intraperitoneal dose	ChEMBL.	3572976
Block (functional)	= 30 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 60 min followed by 100 mg/kg intraperitoneal dose	ChEMBL.	3572976
Block (functional)	= 30 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 240 min followed by 100 mg/kg intraperitoneal dose	ChEMBL.	3572976
Block (functional)	= 30 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 30 min followed by 200 mg/kg peroral dose	ChEMBL.	3572976
Block (functional)	= 30 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 30 min followed by 100 mg/kg intraperitoneal dose	ChEMBL.	3572976
Block (functional)	= 30 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 60 min followed by 100 mg/kg intraperitoneal dose	ChEMBL.	3572976
Block (functional)	= 30 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 240 min followed by 100 mg/kg intraperitoneal dose	ChEMBL.	3572976
Block (functional)	= 40 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 60 min followed by 200 mg/kg peroral dose	ChEMBL.	3572976
Block (functional)	= 40 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 60 min followed by 200 mg/kg peroral dose	ChEMBL.	3572976
Block (functional)	= 50 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 120 min followed by 100 mg/kg intraperitoneal dose	ChEMBL.	3572976
Block (functional)	= 50 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 120 min followed by 100 mg/kg intraperitoneal dose	ChEMBL.	3572976
Block (functional)	= 80 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 120 min followed by 200 mg/kg peroral dose	ChEMBL.	3572976
Block (functional)	= 80 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 240 min followed by 200 mg/kg peroral dose	ChEMBL.	3572976
Block (functional)	= 80 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 120 min followed by 200 mg/kg peroral dose	ChEMBL.	3572976
Block (functional)	= 80 %	Percentage block of the hind-limb tonic-extensor seizure was determined after application of an electric shock to mice for 240 min followed by 200 mg/kg peroral dose	ChEMBL.	3572976
ED50 (functional)	> 100 mg kg-1	Anticonvulsant activity of the compound was determined by using a standard maximal electroshock test (MES) in mice, by intraperitoneal administration of the compound	ChEMBL.	3572976
ED50 (functional)	> 100 mg kg-1	Anticonvulsant activity of the compound was determined by using a standard maximal electroshock test (MES) in mice, by intraperitoneal administration of the compound	ChEMBL.	3572976
ED50 (functional)	> 200 mg kg-1	Anticonvulsant activity following p.o. administration by standard maximal electroshock test in mice.	ChEMBL.	3572976
ED50 (functional)	> 200 mg kg-1	Anticonvulsant activity following p.o. administration by standard maximal electroshock test in mice.	ChEMBL.	3572976

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: CHEMBL170949

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 300032