TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 315.43 | Formula: C18H21NO2S
H donors: 2 H acceptors: 2 LogP: 1.93 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(C/C=C(/c1cscc1)\c1ccc(cc1)C(C)C)N
InChi: 1S/C18H21NO2S/c1-12(2)13-3-5-14(6-4-13)16(15-9-10-22-11-15)7-8-17(19)18(20)21/h3-7,9-12,17H,8,19H2,1-2H3,(H,20,21)/b16-7+
InChiKey: LMXWPUHEXUOSBI-FRKPEAEDSA-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	thioredoxin reductase	0.0053	0.0171	1
Brugia malayi	Receptor family ligand binding region containing protein	0.0101	0.0686	0.0769
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0074	0.0398	0.5423
Plasmodium vivax	thioredoxin reductase, putative	0.0053	0.0171	1
Echinococcus granulosus	glutamate receptor NMDA	0.0276	0.2575	0.2575
Schistosoma mansoni	metabotropic glutamate receptor	0.0101	0.0686	0.0783
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0191	0.1657	0.1657
Echinococcus granulosus	tyrosine kinase	0.0101	0.0686	0.0686
Mycobacterium tuberculosis	Probable oxidoreductase	0.0135	0.1049	0.7207
Loa Loa (eye worm)	hypothetical protein	0.0392	0.3824	0.429
Loa Loa (eye worm)	MH2 domain-containing protein	0.0134	0.1043	0.117
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0191	0.1657	0.1859
Loa Loa (eye worm)	glutamate receptor	0.0101	0.0686	0.0769
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0589	0.5943	0.5943
Loa Loa (eye worm)	hypothetical protein	0.0392	0.3824	0.429
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0686	0.0769
Echinococcus granulosus	mitogen activated protein kinase 3	0.006	0.0241	0.0241
Echinococcus multilocularis	inositol monophosphatase 1	0.0042	0.0057	0.0057
Giardia lamblia	Kinase, CMGC MAPK	0.006	0.0241	0.5
Schistosoma mansoni	inositol monophosphatase	0.0042	0.0057	0.0065
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.006	0.0241	0.2925
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0101	0.0686	0.0769
Brugia malayi	Inositol-1	0.0042	0.0057	0.0064
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0573	0.5775	0.5775
Loa Loa (eye worm)	hypothetical protein	0.0191	0.1657	0.1859
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0101	0.0686	1
Echinococcus multilocularis	glutamate receptor NMDA	0.0276	0.2575	0.2575
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0042	0.0057	0.2365
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0369	0.3571	0.3571
Loa Loa (eye worm)	hypothetical protein	0.0191	0.1657	0.1859
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.006	0.0241	0.2925
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0686	0.0769
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0197	0.1718	0.1718
Mycobacterium tuberculosis	Probable dehydrogenase	0.0121	0.0904	0.6199
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0101	0.0686	0.0769
Mycobacterium tuberculosis	Probable glutamine-binding lipoprotein GlnH (GLNBP)	0.0172	0.1453	1
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0101	0.0686	0.0686
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0121	0.0904	0.6199
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0434	0.0486
Onchocerca volvulus		0.0101	0.0686	1
Echinococcus granulosus	receptor type guanylyl cyclase	0.0101	0.0686	0.0686
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0101	0.0686	0.0686
Loa Loa (eye worm)	hypothetical protein	0.0392	0.3824	0.429
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0121	0.0904	0.8601
Loa Loa (eye worm)	glutamate receptor 2	0.0473	0.4689	0.5261
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0135	0.1049	0.7207
Brugia malayi	metabotropic glutamate receptor type 2	0.0101	0.0686	0.0769
Brugia malayi	Thioredoxin reductase	0.0053	0.0171	0.0192
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0473	0.4689	0.4689
Echinococcus granulosus	nmda type glutamate receptor	0.0377	0.3661	0.3661
Schistosoma mansoni	serine/threonine protein kinase	0.006	0.0241	0.0275
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0473	0.4689	0.4689
Echinococcus multilocularis	mitogen activated protein kinase	0.006	0.0241	0.0241
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.0241	1
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0101	0.0686	0.0769
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0113	0.082	0.092
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0101	0.0686	0.0686
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0191	0.1657	0.1657
Leishmania major	extracellular receptor, putative	0.0101	0.0686	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0573	0.5775	0.5775
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0067	0.0321	0.2164
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0067	0.0321	0.0367
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.0101	0.0686	0.0769
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.006	0.0241	0.2925
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0042	0.0057	0.5
Loa Loa (eye worm)	glutathione reductase	0.0053	0.0171	0.0192
Mycobacterium ulcerans	glutamine-binding lipoprotein GlnH	0.0172	0.1453	1
Echinococcus multilocularis	transcription factor Dp 1	0.0043	0.0062	0.0062
Brugia malayi	latrophilin 2 splice variant baaae	0.0077	0.0434	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0686	0.0769
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0197	0.1718	0.1718
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0686	0.0769
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0573	0.5775	0.5775
Echinococcus granulosus	mitogen activated protein kinase	0.006	0.0241	0.0241
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0067	0.0321	0.0321
Echinococcus multilocularis	nmda type glutamate receptor	0.0377	0.3661	0.3661
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0074	0.0398	0.0446
Schistosoma mansoni	glutamate receptor kainate	0.0473	0.4689	0.5359
Schistosoma mansoni	hypothetical protein	0.0197	0.1718	0.1963
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0101	0.0686	0.0686
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0067	0.0321	0.0321
Schistosoma mansoni	protein kinase	0.0101	0.0686	0.0783
Loa Loa (eye worm)	thioredoxin reductase	0.0053	0.0171	0.0192
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0074	0.0398	0.0446
Loa Loa (eye worm)	glutamate receptor 1	0.0865	0.8914	1
Echinococcus multilocularis	glutamate receptor 2	0.0966	1	1
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0074	0.0398	0.5423
Schistosoma mansoni	ATP-binding cassette transporter	0.0473	0.4689	0.5359
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0966	1	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0686	0.0769
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0067	0.0321	0.4209
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0966	1	1
Loa Loa (eye worm)	inositol-1	0.0042	0.0057	0.0064
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0121	0.0904	0.6199
Trypanosoma cruzi	extracellular receptor, putative	0.0101	0.0686	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0053	0.0171	0.0171
Brugia malayi	glutathione reductase	0.0053	0.0171	0.0192
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0573	0.5775	0.5775
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0686	0.0769
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0135	0.1049	0.7207
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0101	0.0686	0.0769
Entamoeba histolytica	hypothetical protein	0.0101	0.0686	1
Trypanosoma brucei	trypanothione reductase	0.0053	0.0171	0.3357
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0101	0.0686	0.0686
Chlamydia trachomatis	glutamine binding protein	0.0172	0.1453	1
Echinococcus multilocularis	NMDA receptor	0.0197	0.1718	0.1718
Echinococcus multilocularis	glutamate receptor 2	0.0769	0.7882	0.7882
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0067	0.0321	0.1895
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.006	0.0241	0.2925
Echinococcus multilocularis	glutamate receptor 4	0.0392	0.3824	0.3824
Echinococcus granulosus	glutamate receptor 1	0.0392	0.3824	0.3824
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.006	0.0241	1
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0573	0.5775	0.5775
Schistosoma mansoni	glutamate receptor kainate	0.0473	0.4689	0.5359
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.006	0.0241	0.2925
Schistosoma mansoni	hypothetical protein	0.0077	0.0434	0.0496
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein (hisJ)	0.0172	0.1453	1
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0197	0.1718	0.1718
Echinococcus granulosus	sodium and chloride dependent glycine	0.0191	0.1657	0.1657
Schistosoma mansoni	tyrosine kinase	0.0101	0.0686	0.0783
Trypanosoma brucei	protein kinase, putative	0.006	0.0241	0.5393
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0686	0.0769
Echinococcus granulosus	nmda type glutamate receptor	0.0645	0.6546	0.6546
Schistosoma mansoni	tyrosine kinase	0.0101	0.0686	0.0783
Schistosoma mansoni	glutamate receptor kainate	0.0473	0.4689	0.5359
Brugia malayi	Guanylyl cyclase protein 23	0.0101	0.0686	0.0769
Schistosoma mansoni	metabotropic glutamate receptor	0.0101	0.0686	0.0783
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0113	0.082	0.092
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0074	0.0398	0.5423
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0121	0.0904	0.6199
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0101	0.0686	0.0686
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0074	0.0398	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0074	0.0398	0.0455
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0589	0.5943	0.5943
Trypanosoma cruzi	trypanothione reductase, putative	0.0053	0.0171	0.182
Brugia malayi	MH2 domain containing protein	0.0134	0.1043	0.117
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0053	0.0171	0.1125
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0101	0.0686	0.0769
Schistosoma mansoni	glutamate receptor AMPA	0.0473	0.4689	0.5359
Loa Loa (eye worm)	hypothetical protein	0.0113	0.082	0.092
Echinococcus granulosus	inositol monophosphatase 1	0.0042	0.0057	0.0057
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.006	0.0241	0.027
Echinococcus multilocularis	nmda type glutamate receptor	0.0645	0.6546	0.6546
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.0101	0.0686	0.0769
Plasmodium falciparum	glutathione reductase	0.0053	0.0171	1
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.0241	1
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0101	0.0686	0.0769
Plasmodium vivax	glutathione reductase, putative	0.0053	0.0171	1
Toxoplasma gondii	thioredoxin reductase	0.0053	0.0171	0.7117
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.006	0.0241	0.5393
Schistosoma mansoni	sodium/chloride dependent transporter	0.0192	0.1663	0.19
Brugia malayi	Glutamate receptor 2 precursor	0.0865	0.8914	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0686	0.0769
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0121	0.0904	0.6199
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0191	0.1657	0.1859
Onchocerca volvulus		0.0101	0.0686	1
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0063	0.0273	0.0306
Schistosoma mansoni	glutamate receptor AMPA	0.0473	0.4689	0.5359
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.0241	1
Echinococcus granulosus	sodium and chloride dependent glycine	0.0191	0.1657	0.1657
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0113	0.082	0.092
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0197	0.1718	0.1718
Mycobacterium tuberculosis	Probable reductase	0.0121	0.0904	0.6199
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0573	0.5775	0.5775
Echinococcus granulosus	transcription factor Dp 1	0.0043	0.0062	0.0062
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0074	0.0398	0.5423
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0197	0.1718	0.1718
Brugia malayi	Receptor family ligand binding region containing protein	0.0101	0.0686	0.0769
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0067	0.0321	0.1895
Loa Loa (eye worm)	transcription factor SMAD2	0.0134	0.1043	0.117
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0135	0.1049	1
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0101	0.0686	0.0686
Echinococcus granulosus	glutamate receptor 2	0.0769	0.7882	0.7882
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0053	0.0171	0.0171
Echinococcus multilocularis	tyrosine kinase	0.0101	0.0686	0.0686
Schistosoma mansoni	inositol monophosphatase	0.0042	0.0057	0.0065
Trichomonas vaginalis	CMGC family protein kinase	0.006	0.0241	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.006	0.0241	0.2925
Schistosoma mansoni	sodium/chloride dependent transporter	0.0191	0.1657	0.1894
Echinococcus multilocularis	mitogen activated protein kinase 3	0.006	0.0241	0.0241
Echinococcus multilocularis	glutamate receptor 2	0.0865	0.8914	0.8914
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0074	0.0398	0.0398
Schistosoma mansoni	glutamate receptor NMDA	0.085	0.8751	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0686	0.0769
Brugia malayi	Glutamate receptor 1 precursor	0.0865	0.8914	1
Leishmania major	trypanothione reductase	0.0053	0.0171	0.182
Chlamydia trachomatis	arginine ABC transporter substrate-binding protein ArtJ	0.0172	0.1453	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0074	0.0398	0.0398
Brugia malayi	MAP kinase sur-1	0.006	0.0241	0.027
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0067	0.0321	0.0361
Treponema pallidum	amino acid ABC transporter, periplasmic binding protein	0.0172	0.1453	1
Echinococcus granulosus	glutamate receptor 4	0.0392	0.3824	0.3824
Schistosoma mansoni	glutamate receptor NMDA	0.0473	0.4689	0.5359
Brugia malayi	hypothetical protein	0.0101	0.0686	0.0769

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: CHEMBL1206575

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 1175019