TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 344.428 | Formula: C18H20N2O3S
H donors: 2 H acceptors: 2 LogP: 4.07 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1c(NC(=O)NCc2ccccc2)sc2c1CCCC2
InChi: 1S/C18H20N2O3S/c1-23-17(21)15-13-9-5-6-10-14(13)24-16(15)20-18(22)19-11-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H2,19,20,22)
InChiKey: RPNUDWSHQHBGQL-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
Plasmodium falciparum	isoleucine--tRNA ligase, putative	0.0062	0.0883	0.4848
Onchocerca volvulus		0.0017	0.0115	0.0954
Wolbachia endosymbiont of Brugia malayi	leucyl-tRNA synthetase	0.0022	0.0206	0.1269
Chlamydia trachomatis	isoleucine--tRNA ligase	0.0062	0.0883	1
Entamoeba histolytica	leucyl-tRNA synthetase, putative	0.0022	0.0206	0.2065
Schistosoma mansoni	leucyl-tRNA synthetase	0.0022	0.0206	0.2068
Chlamydia trachomatis	valine--tRNA ligase	0.0022	0.0206	0.2065
Mycobacterium tuberculosis	Isoleucyl-tRNA synthetase IleS	0.004	0.0511	0.0511
Giardia lamblia	Valine-tRNA ligase	0.0022	0.0206	0.2068
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0012	0.003	0.0004
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0057	0.0323
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0012	0.003	0.003
Onchocerca volvulus		0.0017	0.0115	0.0954
Schistosoma mansoni	glycyl-tRNA synthetase	0.0012	0.003	0.0004
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0017	0.0115	0.0115
Echinococcus granulosus	isoleucyl tRNA synthetase, cytoplasmic	0.0062	0.0883	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0014	0.0065	0.0065
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0017	0.0115	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0883	1
Trypanosoma cruzi	valyl-tRNA synthetase, putative	0.0013	0.0057	0.0323
Trypanosoma brucei	threonyl-tRNA synthetase, putative	0.0055	0.0754	0.8497
Treponema pallidum	isoleucyl-tRNA synthetase	0.0062	0.0883	1
Echinococcus multilocularis	Threonyl tRNA synthetase, C	0.0055	0.0754	0.8497
Echinococcus multilocularis	methionyl tRNA synthetase, cytoplasmic	0.0013	0.0057	0.0323
Mycobacterium ulcerans	pantoate--beta-alanine ligase	0.0603	1	1
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0017	0.0115	0.0115
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0012	0.003	0.0004
Brugia malayi	AMP-binding enzyme family protein	0.0017	0.0115	0.1001
Loa Loa (eye worm)	hypothetical protein	0.0049	0.066	0.7383
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0017	0.0115	0.0997
Brugia malayi	AMP-binding enzyme family protein	0.0014	0.0072	0.0502
Schistosoma mansoni	methionine-tRNA synthetase	0.0013	0.0057	0.0327
Mycobacterium ulcerans	thioesterase	0.0162	0.2565	0.2565
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0206	0.2065
Trypanosoma cruzi	leucyl-tRNA synthetase, putative	0.0022	0.0206	0.2065
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0012	0.003	0.0004
Giardia lamblia	Threonyl-tRNA synthetase	0.0048	0.0645	0.7219
Mycobacterium ulcerans	threonyl-tRNA synthetase	0.0048	0.0645	0.0645
Giardia lamblia	Prolyl-tRNA synthetase	0.0012	0.003	0.0004
Plasmodium vivax	isoleucine--tRNA ligase, putative	0.0062	0.0883	1
Echinococcus granulosus	leucyl tRNA synthetase	0.0022	0.0206	0.2065
Echinococcus multilocularis	leucyl tRNA synthetase	0.0022	0.0206	0.2065
Leishmania major	isoleucyl-tRNA synthetase, putative	0.0062	0.0883	1
Mycobacterium tuberculosis	Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA glycosylase)	0.0094	0.1417	0.1417
Brugia malayi	isoleucyl-tRNA synthetase family protein	0.0062	0.0883	1
Brugia malayi	isoleucyl-tRNA synthetase	0.0062	0.0883	1
Echinococcus multilocularis	isoleucyl tRNA synthetase, cytoplasmic	0.0062	0.0883	1
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0012	0.003	0.003
Toxoplasma gondii	leucyl-tRNA synthetase	0.0022	0.0206	0.0177
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0017	0.0115	0.0115
Toxoplasma gondii	tRNA synthetase, putative	0.0022	0.0206	0.0177
Mycobacterium ulcerans	isoleucyl-tRNA synthetase	0.0062	0.0883	0.0883
Chlamydia trachomatis	leucine--tRNA ligase	0.0013	0.0057	0.0323
Mycobacterium ulcerans	glycyl-tRNA synthetase	0.0012	0.003	0.003
Mycobacterium ulcerans	leucyl-tRNA synthetase	0.0013	0.0057	0.0057
Chlamydia trachomatis	methionine--tRNA ligase	0.0013	0.0057	0.0323
Trichomonas vaginalis	isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative	0.0013	0.0057	0.0327
Plasmodium falciparum	threonine--tRNA ligase	0.0048	0.0645	0.3499
Onchocerca volvulus		0.0022	0.0206	0.2466
Trypanosoma brucei	leucyl-tRNA synthetase, putative	0.0022	0.0206	0.2065
Trypanosoma brucei	valyl-tRNA synthetase, putative	0.0022	0.0206	0.2065
Echinococcus multilocularis	valyl tRNA synthetase	0.0022	0.0206	0.2065
Entamoeba histolytica	isoleucyl-tRNA synthetase, putative	0.0062	0.0883	1
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0179	0.2845	0.2845
Chlamydia trachomatis	threonine--tRNA ligase	0.0055	0.0754	0.8497
Toxoplasma gondii	isoleucyl-tRNA synthetase family protein	0.0062	0.0883	0.0855
Trichomonas vaginalis	valyl-tRNA synthetase, putative	0.0013	0.0057	0.0327
Loa Loa (eye worm)	threonyl-tRNA synthetase	0.0055	0.0754	0.8497
Mycobacterium leprae	Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA GLYCOSYLASE)	0.0094	0.1417	0.1417
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0017	0.0115	0.0115
Trichomonas vaginalis	leucyl-tRNA synthetase, putative	0.0022	0.0206	0.2068
Entamoeba histolytica	valyl tRNA synthetase, putative	0.0022	0.0206	0.2065
Mycobacterium tuberculosis	Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	0.0603	1	1
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0057	0.0323
Toxoplasma gondii	valyl-tRNA synthetase	0.0022	0.0206	0.0177
Echinococcus granulosus	valyl tRNA synthetase	0.0022	0.0206	0.2065
Mycobacterium tuberculosis	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase)	0.0048	0.0645	0.0645
Giardia lamblia	Isoleucyl-tRNA synthetase	0.0062	0.0883	1
Leishmania major	threonyl-tRNA synthetase, putative	0.0055	0.0754	0.8498
Mycobacterium ulcerans	formamidopyrimidine-DNA glycosylase	0.0094	0.1417	0.1417
Onchocerca volvulus		0.0049	0.066	1
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0522	0.8632	0.8632
Plasmodium vivax	hypothetical protein, conserved	0.0022	0.0206	0.2065
Mycobacterium leprae	PROBABLE VALYL-tRNA SYNTHASE PROTEIN VALS (VALYL-tRNA SYNTHETASE) (VALINE--tRNA LIGASE) (VALINE TRANSLASE) ELONGS TO CLASS-I AMI	0.0022	0.0206	0.0206
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0055	0.0754	0.8497
Plasmodium falciparum	valine--tRNA ligase, putative	0.0022	0.0206	0.1001
Plasmodium vivax	valine--tRNA ligase, putative	0.0022	0.0206	0.2065
Brugia malayi	Valyl-tRNA synthetase	0.0022	0.0206	0.2068
Leishmania major	leucyl-tRNA synthetase, putative	0.0022	0.0206	0.2068
Entamoeba histolytica	valyl-tRNA synthetase, putative	0.0022	0.0206	0.2065
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0055	0.0754	0.8497
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0012	0.003	0.0004
Wolbachia endosymbiont of Brugia malayi	threonyl-tRNA synthetase	0.0048	0.0645	0.4437
Brugia malayi	leucyl-tRNA synthetase	0.0022	0.0206	0.2068
Wolbachia endosymbiont of Brugia malayi	formamidopyrimidine-DNA glycosylase	0.0094	0.1417	1
Trichomonas vaginalis	leucyl-tRNA synthetase, putative	0.0013	0.0057	0.0327
Loa Loa (eye worm)	isoleucyl-tRNA synthetase	0.0062	0.0883	1
Trypanosoma cruzi	valyl-tRNA synthetase, putative	0.0022	0.0206	0.2065
Echinococcus multilocularis	leucyl tRNA synthetase	0.0022	0.0206	0.2065
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0017	0.0115	0.0115
Mycobacterium tuberculosis	Conserved protein	0.0012	0.003	0.003
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0012	0.003	0.0004
Plasmodium falciparum	leucine--tRNA ligase, putative	0.0022	0.0206	0.1001
Echinococcus granulosus	valyl tRNA synthetase	0.0022	0.0206	0.2065
Treponema pallidum	leucyl-tRNA synthetase	0.0013	0.0057	0.0323
Brugia malayi	valyl-tRNA synthetase family protein	0.0022	0.0206	0.2068
Mycobacterium leprae	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase)	0.0048	0.0645	0.0645
Entamoeba histolytica	threonyl-tRNA synthetase, putative	0.0048	0.0645	0.7218
Echinococcus granulosus	leucyl tRNA synthetase	0.0022	0.0206	0.2065
Leishmania major	valyl-tRNA synthetase, putative	0.0022	0.0206	0.2068
Toxoplasma gondii	isoleucyl-tRNA synthetase, putative	0.0022	0.0206	0.0177
Trypanosoma brucei	isoleucyl-tRNA synthetase, putative	0.0062	0.0883	1
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0012	0.003	0.0004
Echinococcus granulosus	Threonyl tRNA synthetase C	0.0055	0.0754	0.8497
Echinococcus granulosus	methionyl tRNA synthetase cytoplasmic	0.0013	0.0057	0.0323
Mycobacterium ulcerans	valyl-tRNA synthetase	0.0022	0.0206	0.0206
Treponema pallidum	threonyl-tRNA synthetase	0.0048	0.0645	0.7218
Schistosoma mansoni	valine-tRNA ligase	0.0022	0.0206	0.2068
Brugia malayi	glycyl-tRNA synthetase	0.0012	0.003	0.0004
Toxoplasma gondii	threonyl-tRNA synthetase family protein	0.0048	0.0645	0.0617
Toxoplasma gondii	pantoate-beta-alanine ligase	0.0603	1	1
Mycobacterium leprae	isoleucyl-tRNA synthetase IleS	0.0062	0.0883	0.0883
Plasmodium falciparum	isoleucine--tRNA ligase, putative	0.0116	0.1789	1
Plasmodium vivax	threonine--tRNA ligase, putative	0.0048	0.0645	0.7218
Schistosoma mansoni	valine-tRNA ligase	0.0022	0.0206	0.2068
Mycobacterium tuberculosis	Probable valyl-tRNA synthase protein ValS (valyl-tRNA synthetase) (valine--tRNA ligase) (valine translase)	0.0022	0.0206	0.0206
Wolbachia endosymbiont of Brugia malayi	isoleucyl-tRNA synthetase	0.0062	0.0883	0.6147
Treponema pallidum	valyl-tRNA synthetase	0.0022	0.0206	0.2065
Trichomonas vaginalis	isoleucyl tRNA synthetase, putative	0.0062	0.0883	1
Giardia lamblia	Glycyl-tRNA synthetase	0.0012	0.003	0.0004
Echinococcus granulosus	isoleucyl trna synthetase mitochondrial	0.0049	0.066	0.7383
Brugia malayi	probable proline-trna synthetase - fission yeast, putative	0.0012	0.003	0.0004
Trichomonas vaginalis	leucyl-tRNA synthetase, putative	0.0022	0.0206	0.2068
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0012	0.003	0.0004
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0014	0.0065	0.0065
Echinococcus multilocularis	isoleucyl tRNA synthetase, mitochondrial	0.0049	0.066	0.7383
Trichomonas vaginalis	threonyl-tRNA synthetase, putative	0.0048	0.0645	0.7219
Trypanosoma cruzi	isoleucyl-tRNA synthetase, putative	0.0062	0.0883	1
Schistosoma mansoni	isoleucine--tRNA ligase	0.0062	0.0883	1
Echinococcus multilocularis	valyl tRNA synthetase	0.0022	0.0206	0.2065
Mycobacterium ulcerans	formamidopyrimidine-DNA glycosylase	0.0094	0.1417	0.1417
Brugia malayi	threonyl-tRNA synthetase, cytoplasmic	0.0055	0.0754	0.8498
Schistosoma mansoni	threonyl-tRNA synthetase	0.0043	0.0567	0.6303
Wolbachia endosymbiont of Brugia malayi	valyl-tRNA synthetase	0.0022	0.0206	0.1269
Mycobacterium tuberculosis	Possible DNA glycosylase	0.0094	0.1417	0.1417
Mycobacterium tuberculosis	Hypothetical protein	0.0012	0.003	0.003
Schistosoma mansoni	isoleucine--tRNA ligase	0.0062	0.0883	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0072	0.0498
Plasmodium falciparum	valine--tRNA ligase, putative	0.0022	0.0206	0.1001
Toxoplasma gondii	leucyl-tRNA synthetase (LeuRS2)	0.0022	0.0206	0.0177

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 862940