TDR Targets

Basic information

Technical information

TDR Targets ID: 876303
Name: N-(2-cyanoethyl)-3-methyl-N-(oxolan-2-ylmethy l)benzenesulfonamide
MW: 308.396 | Formula: C15H20N2O3S
H donors: 0 H acceptors: 3 LogP: 1.53 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: N#CCCN(S(=O)(=O)c1cccc(c1)C)CC1CCCO1
InChi: 1S/C15H20N2O3S/c1-13-5-2-7-15(11-13)21(18,19)17(9-4-8-16)12-14-6-3-10-20-14/h2,5,7,11,14H,3-4,6,9-10,12H2,1H3
InChiKey: HQKGNIOSLFASHT-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

N-(2-cyanoethyl)-3-methyl-N-(tetrahydrofuran-2-ylmethyl)benzenesulfonamide
N-(2-cyanoethyl)-3-methyl-N-(2-tetrahydrofuranylmethyl)benzenesulfonamide
N-(2-cyanoethyl)-3-methyl-N-(tetrahydrofurfuryl)benzenesulfonamide

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)	hypothetical protein	0.0014	0.0051	0.0053
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C48, putative	0.0014	0.0051	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0176	0.0181
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0331	1
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0331	0.0331
Loa Loa (eye worm)	hypothetical protein	0.002	0.0176	0.0181
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0014	0.0045	0.0055
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0051	0.5
Plasmodium vivax	acyl-CoA synthetase, putative	0.002	0.0176	1
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0014	0.0051	0.0051
Echinococcus granulosus	sentrin specific protease 7	0.0165	0.3534	0.3534
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0014	0.0051	0.0051
Trypanosoma brucei	SUMO1/Ulp2, putative	0.0014	0.0051	0.5
Echinococcus granulosus	Ankyrin	0.0014	0.0045	0.0045
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0051	0.5
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0051	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0331	1
Echinococcus granulosus	netrin receptor unc 5	0.0014	0.0042	0.0042
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0014	0.0051	0.0064
Loa Loa (eye worm)	Ulp1 protease	0.0014	0.0051	0.0053
Brugia malayi	Uncoordinated protein 44	0.0014	0.0042	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0331	0.034
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0331	1
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0176	0.139
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0331	0.0331
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0014	0.0042	0.0042
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0331	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0331	1
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0331	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0331	0.5
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0014	0.0051	0.0051
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0014	0.0042	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0045	0.0046
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.0014	0.0051	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0331	0.034
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.0014	0.0051	0.5
Echinococcus granulosus	sentrin specific protease 8	0.0014	0.0051	0.0051
Loa Loa (eye worm)	hypothetical protein	0.002	0.0176	0.0181
Echinococcus multilocularis	sentrin specific protease 7	0.0165	0.3534	0.3534
Loa Loa (eye worm)	hypothetical protein	0.0433	0.9718	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0027	0.0331	1
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0051	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0331	1
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0014	0.0042	0.0042
Brugia malayi	Protein kinase domain containing protein	0.0014	0.0042	0.0042
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0051	0.5
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0331	0.0331
Echinococcus multilocularis	jun protein	0.0445	1	1
Onchocerca volvulus		0.0027	0.0331	0.0424
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0051	0.5
Schistosoma mansoni	netrin receptor unc5	0.0014	0.0042	0.0052
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0014	0.0051	0.0051
Plasmodium falciparum	acyl-CoA synthetase	0.002	0.0176	1
Onchocerca volvulus		0.0014	0.0051	0.0066
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.0014	0.0051	0.5
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.0176	1
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0215	0.4692	0.4692
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0331	0.0802
Schistosoma mansoni	hypothetical protein	0.0362	0.8074	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0042	0.0043
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0331	0.034
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0165	0.3534	0.4377
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0331	0.0802
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0014	0.0051	0.0064
Brugia malayi	Death domain containing protein	0.0014	0.0042	0.0042
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0445	1	1
Echinococcus granulosus	expressed conserved protein	0.0151	0.32	0.32
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0014	0.0051	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0051	0.0053
Trichomonas vaginalis	Sentrin-specific protease, putative	0.0014	0.0051	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0176	0.0181
Brugia malayi	hypothetical protein	0.0349	0.7792	0.7792
Trypanosoma cruzi	hypothetical protein	0.0014	0.0051	0.5
Echinococcus granulosus	sentrin specific protease 1	0.0014	0.0051	0.0051
Echinococcus multilocularis	sentrin specific protease 1	0.0014	0.0051	0.0051
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0331	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0331	1
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0051	0.5
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0331	0.5
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0051	0.0053
Echinococcus granulosus	death domain containing protein	0.0014	0.0042	0.0042
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0331	0.0802
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0165	0.3534	1
Echinococcus multilocularis	sentrin specific protease 8	0.0014	0.0051	0.0051
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0051	0.5
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0014	0.0042	0.0043
Trichomonas vaginalis	sentrin/sumo-specific protease, senp8, putative	0.0014	0.0051	0.5
Loa Loa (eye worm)	Ulp1 protease	0.0014	0.0051	0.0053
Echinococcus multilocularis	netrin receptor unc 5	0.0014	0.0042	0.0042
Trypanosoma cruzi	SUMO1/Ulp2, putative	0.0014	0.0051	0.5
Schistosoma mansoni	hypothetical protein	0.0014	0.0042	0.0052
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0215	0.4692	0.4692
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0331	1
Schistosoma mansoni	ankyrin 23/unc44	0.0014	0.0042	0.0052
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0445	1	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0176	0.0181
Onchocerca volvulus		0.0349	0.7792	1
Echinococcus granulosus	jun protein	0.0445	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0331	1
Echinococcus multilocularis	Ankyrin	0.0014	0.0045	0.0045
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0051	0.5
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0331	1
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0051	0.5
Onchocerca volvulus	Netrin receptor homolog	0.0014	0.0042	0.0054
Echinococcus multilocularis	expressed conserved protein	0.0151	0.32	0.32
Schistosoma mansoni	jun-related protein	0.0362	0.8074	1
Giardia lamblia	Sentrin specific protease, putative	0.0014	0.0051	0.5

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 876303