TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 298.336 | Formula: C17H18N2O3
H donors: 3 H acceptors: 3 LogP: -0.09 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N[C@H](C(=O)O)CC(=O)Nc1ccc(cc1)Cc1ccccc1
InChi: 1S/C17H18N2O3/c18-15(17(21)22)11-16(20)19-14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,15H,10-11,18H2,(H,19,20)(H,21,22)/t15-/m0/s1
InChiKey: WDYJIQGHSWOBSI-HNNXBMFYSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	solute carrier family 1 (glial high affinity glutamate transporter), member 2	Starlite/ChEMBL	References
Homo sapiens	solute carrier family 1 (neuronal/epithelial high affinity glutamate transporter, system Xag), member 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	neutral amino acid transporter A	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus multilocularis	excitatory amino acid transporter 2	Get druggable targets OG5_126739	All targets in OG5_126739
Brugia malayi	Excitatory amino acid transporter	Get druggable targets OG5_126739	All targets in OG5_126739
Chlamydia trachomatis	glutamate symporter	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus granulosus	neutral amino acid transporter A	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus multilocularis	neutral amino acid transporter A	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus granulosus	excitatory amino acid transporter 3	Get druggable targets OG5_126739	All targets in OG5_126739
Schistosoma japonicum	ko:K05614 solute carrier family 1 (glial high affinity glutamate transporter),, putative	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus multilocularis	neutral amino acid transporter A	Get druggable targets OG5_126739	All targets in OG5_126739
Schistosoma japonicum	ko:K05613 solute carrier family 1 (glial high affinity glutamate transporter),, putative	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus multilocularis	excitatory amino acid transporter 2	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	Get druggable targets OG5_126739	All targets in OG5_126739
Schistosoma mansoni	solute carrier family 1 (glial high affinity glutamate transporter	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus granulosus	neutral amino acid transporter A	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus granulosus	excitatory amino acid transporter 2	Get druggable targets OG5_126739	All targets in OG5_126739
Wolbachia endosymbiont of Brugia malayi	Na+/H+-dicarboxylate symporter	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus multilocularis	Excitatory amino acid transporter	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus granulosus	Excitatory amino acid transporter	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus multilocularis	excitatory amino acid transporter 3	Get druggable targets OG5_126739	All targets in OG5_126739
Schistosoma japonicum	Excitatory amino acid transporter 2, putative	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus granulosus	neutral amino acid transporter	Get druggable targets OG5_126739	All targets in OG5_126739
Theileria parva	glutamate transporter, putative	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus granulosus	sodium:dicarboxylate symporter	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus granulosus	excitatory amino acid transporter 2	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus multilocularis	sodium:dicarboxylate symporter	Get druggable targets OG5_126739	All targets in OG5_126739
Loa Loa (eye worm)	excitatory amino acid transporter	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus multilocularis	Excitatory amino acid transporter	Get druggable targets OG5_126739	All targets in OG5_126739
Mycobacterium tuberculosis	Probable C4-dicarboxylate-transport transmembrane protein DctA	Get druggable targets OG5_126739	All targets in OG5_126739
Echinococcus granulosus	Excitatory amino acid transporter	Get druggable targets OG5_126739	All targets in OG5_126739
Onchocerca volvulus	Excitatory amino acid transporter homolog	Get druggable targets OG5_126739	All targets in OG5_126739

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
Echinococcus granulosus	neutral amino acid transporter	0.0304	0.3624	0.4203
Echinococcus multilocularis	glutamate receptor 2	0.0056	0.0426	0.0316
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0011	0.5
Chlamydia trachomatis	neutral amino acid transporter	0.0135	0.1445	0.3988
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0323	0.0212
Leishmania major	hypothetical protein, conserved	0.0025	0.003	0.0631
Echinococcus multilocularis	receptor type guanylyl cyclase	0.0047	0.0313	0.0202
Brugia malayi	metabotropic glutamate receptor type 2	0.0224	0.259	0.465
Loa Loa (eye worm)	metabotropic glutamate receptor 8	0.0047	0.0313	0.0438
Leishmania major	extracellular receptor, putative	0.0047	0.0313	1
Brugia malayi	hypothetical protein	0.0047	0.0313	0.0543
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.003	0.5
Brugia malayi	Receptor family ligand binding region containing protein	0.0047	0.0313	0.0543
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0367	0.0517
Echinococcus granulosus	nmda type glutamate receptor	0.0047	0.0313	0.0239
Echinococcus multilocularis	atrial natriuretic peptide receptor	0.0047	0.0313	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0313	0.0438
Echinococcus granulosus	metabotropic glutamate receptor 2	0.0382	0.4617	0.5391
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0247	0.0135
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.003	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.003	0.0028
Echinococcus granulosus	sodium:dicarboxylate symporter	0.0304	0.3624	0.4203
Schistosoma mansoni	tyrosine kinase	0.0047	0.0313	0.0104
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0056	0.0426	0.0316
Echinococcus granulosus	atrial natriuretic peptide receptor	0.0047	0.0313	0.0239
Echinococcus granulosus	alkaline phosphatase	0.0326	0.3902	0.4535
Echinococcus multilocularis	glutamate receptor 2	0.0047	0.0313	0.0202
Echinococcus granulosus	glutamate receptor 2	0.0056	0.0426	0.0374
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.096	0.171
Entamoeba histolytica	hypothetical protein	0.0047	0.0313	0.3176
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0056	0.0426	0.0374
Echinococcus granulosus	alkaline phosphatase intestinal gene 2	0.0326	0.3902	0.4535
Onchocerca volvulus	Poor gastrulation protein homolog	0.0073	0.065	0.1767
Echinococcus multilocularis	Excitatory amino acid transporter	0.0304	0.3624	0.3552
Echinococcus granulosus	intestinal type alkaline phosphatase	0.0326	0.3902	0.4535
Echinococcus granulosus	neutral amino acid transporter A	0.0304	0.3624	0.4203
Loa Loa (eye worm)	hypothetical protein	0.012	0.1252	0.1803
Echinococcus multilocularis	protein patched	0.0042	0.0247	0.0135
Brugia malayi	hypothetical protein	0.0025	0.003	0.0034
Echinococcus multilocularis	intestinal type alkaline phosphatase 1	0.0326	0.3902	0.3832
Brugia malayi	CHE-14 protein	0.0042	0.0247	0.0424
Echinococcus granulosus	Niemann Pick C1 protein	0.0139	0.1496	0.1656
Echinococcus multilocularis	Excitatory amino acid transporter	0.0304	0.3624	0.3552
Loa Loa (eye worm)	excitatory amino acid transporter	0.0304	0.3624	0.525
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0056	0.0426	0.0316
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0313	0.0438
Schistosoma mansoni	solute carrier family 1 (glial high affinity glutamate transporter	0.0304	0.3624	0.4123
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0247	0.016
Echinococcus granulosus	neutral amino acid transporter A	0.0304	0.3624	0.4203
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0135	0.1445	0.1478
Echinococcus multilocularis	excitatory amino acid transporter 2	0.0304	0.3624	0.3552
Echinococcus granulosus	intestinal type alkaline phosphatase 1	0.0326	0.3902	0.4535
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0247	0.0342
Loa Loa (eye worm)	receptor family ligand binding region containing protein	0.012	0.1252	0.1803
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0313	0.0438
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0099	0.0979	0.0912
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0047	0.0313	0.0438
Echinococcus multilocularis	sodium:dicarboxylate symporter	0.0135	0.1445	0.1348
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0011	1
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	0.0135	0.1445	0.1348
Brugia malayi	metabotropic glutamate receptor subtype 5a (mGluR5a), putative	0.0408	0.4954	0.8914
Echinococcus multilocularis	expressed conserved protein	0.0091	0.0884	0.078
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0056	0.0426	0.0374
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.003	0.5
Onchocerca volvulus	Atrial natriuretic peptide receptor 3 homolog	0.0047	0.0313	0.0834
Echinococcus multilocularis	metabotropic glutamate receptor 5	0.0559	0.6894	0.6858
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0247	0.5
Echinococcus multilocularis	intestinal type alkaline phosphatase	0.0326	0.3902	0.3832
Echinococcus multilocularis	Niemann Pick C1 protein	0.0139	0.1496	0.1399
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0023	0.0011	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0023	0.0011	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0313	0.0438
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0313	0.0438
Echinococcus granulosus	tyrosine kinase	0.0047	0.0313	0.0239
Echinococcus multilocularis	excitatory amino acid transporter 2	0.0304	0.3624	0.3552
Schistosoma mansoni	alkaline phosphatase	0.0326	0.3902	0.4459
Brugia malayi	Receptor family ligand binding region containing protein	0.012	0.1252	0.2237
Echinococcus multilocularis	excitatory amino acid transporter 3	0.0304	0.3624	0.3552
Loa Loa (eye worm)	hypothetical protein	0.0073	0.065	0.0928
Echinococcus multilocularis	alkaline phosphatase	0.0326	0.3902	0.3832
Echinococcus multilocularis	tyrosine kinase	0.0047	0.0313	0.0202
Loa Loa (eye worm)	glutamate receptor	0.0455	0.5556	0.8057
Echinococcus granulosus	excitatory amino acid transporter 2	0.0304	0.3624	0.4203
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0023	0.0011	1
Schistosoma mansoni	hypothetical protein	0.0073	0.065	0.0513
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0047	0.0313	0.0438
Schistosoma mansoni	tyrosine kinase	0.0047	0.0313	0.0104
Echinococcus granulosus	excitatory amino acid transporter 2	0.0304	0.3624	0.4203
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0247	0.016
Echinococcus granulosus	receptor type guanylyl cyclase	0.0047	0.0313	0.0239
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0023	0.0011	1
Treponema pallidum	glutamate transporter	0.0135	0.1445	1
Loa Loa (eye worm)	glutamate receptor	0.0177	0.1987	0.2871
Schistosoma mansoni	metabotropic glutamate receptor	0.0382	0.4617	0.5327
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0313	0.0438
Echinococcus granulosus	Excitatory amino acid transporter	0.0304	0.3624	0.4203
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0313	0.0438
Echinococcus multilocularis	neutral amino acid transporter A	0.0304	0.3624	0.3552
Chlamydia trachomatis	glutamate symporter	0.0304	0.3624	1
Echinococcus granulosus	GPCR family 3 C terminal	0.0073	0.065	0.0643
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0056	0.0426	0.0316
Onchocerca volvulus	Excitatory amino acid transporter homolog	0.0304	0.3624	1
Schistosoma mansoni	metabotropic glutamate receptor 2 3 (mglur group 2)	0.0512	0.6291	0.736
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0047	0.0313	0.0543
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0011	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0247	0.0342
Schistosoma mansoni	protein kinase	0.0047	0.0313	0.0104
Schistosoma mansoni	metabotropic glutamate receptor	0.0224	0.259	0.2867
Brugia malayi	metabotropic GABA-B receptor subtype 2	0.0073	0.065	0.1152
Schistosoma mansoni	microtubule-associated protein tau	0.0681	0.8467	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.096	0.1014
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.096	0.0857
Wolbachia endosymbiont of Brugia malayi	Na+/H+-dicarboxylate symporter	0.0304	0.3624	0.5
Treponema pallidum	glutamate/aspartate transporter	0.0135	0.1445	1
Mycobacterium tuberculosis	Probable C4-dicarboxylate-transport transmembrane protein DctA	0.0304	0.3624	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0023	0.0011	0.5
Brugia malayi	Metabotropic glutamate receptor precursor.	0.0455	0.5556	1
Loa Loa (eye worm)	metabotropic GABA-B receptor subtype 2	0.012	0.1252	0.1803
Echinococcus granulosus	metabotropic glutamate receptor 5	0.0559	0.6894	0.8117
Echinococcus multilocularis	microtubule associated protein 2	0.0681	0.8467	0.8449
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.003	0.5
Schistosoma mansoni	hypothetical protein	0.0169	0.1888	0.2016
Echinococcus multilocularis	nmda type glutamate receptor	0.0047	0.0313	0.0202
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0023	0.0011	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0097	0.096	0.1378
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0056	0.0426	0.0316
Echinococcus granulosus	glutamate receptor 2	0.0047	0.0313	0.0239
Loa Loa (eye worm)	RGC/RGC protein kinase	0.0047	0.0313	0.0438
Echinococcus multilocularis	alkaline phosphatase, intestinal, gene 2	0.0326	0.3902	0.3832
Trypanosoma cruzi	extracellular receptor, putative	0.0047	0.0313	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0023	0.0011	0.0032
Brugia malayi	Guanylyl cyclase protein 23	0.0047	0.0313	0.0543
Onchocerca volvulus		0.0047	0.0313	0.0834
Mycobacterium ulcerans	acyl-CoA synthetase	0.0023	0.0011	1
Echinococcus granulosus	microtubule associated protein 2	0.0681	0.8467	1
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0097	0.096	1
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0056	0.0426	0.0374
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0056	0.0426	0.0374
Echinococcus granulosus	expressed conserved protein	0.0091	0.0884	0.0923
Schistosoma mansoni	patched 1	0.0042	0.0247	0.0023
Echinococcus multilocularis	GPCR, family 3, C terminal	0.0073	0.065	0.0543
Echinococcus multilocularis	sodium:dicarboxylate symporter	0.0304	0.3624	0.3552
Echinococcus multilocularis	neutral amino acid transporter A	0.0304	0.3624	0.3552
Schistosoma mansoni	glutamate receptor NMDA	0.0056	0.0426	0.0241
Schistosoma mansoni	sodium/dicarboxylate symporter-related	0.0135	0.1445	0.1478
Onchocerca volvulus	Metabotropic glutamate receptor homolog	0.0073	0.065	0.1767
Echinococcus multilocularis	metabotropic glutamate receptor 2	0.0382	0.4617	0.4555
Echinococcus granulosus	excitatory amino acid transporter 3	0.0304	0.3624	0.4203
Schistosoma mansoni	alkaline phosphatase	0.0326	0.3902	0.4459
Loa Loa (eye worm)	hypothetical protein	0.0559	0.6894	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.003	0.5
Echinococcus granulosus	Excitatory amino acid transporter	0.0304	0.3624	0.4203
Mycobacterium ulcerans	hypothetical protein	0.0023	0.0011	1
Echinococcus multilocularis	neutral amino acid transporter A	0.0304	0.3624	0.3552
Onchocerca volvulus		0.0047	0.0313	0.0834
Echinococcus multilocularis	neutral amino acid transporter excitatory amino acid transporter	0.0304	0.3624	0.3552
Brugia malayi	Excitatory amino acid transporter	0.0304	0.3624	0.6516

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1 uM	Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 2	ChEMBL.	16165356
IC50 (binding)	= 9 uM	Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 3	ChEMBL.	16165356
IC50 (binding)	= 22 uM	Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 1	ChEMBL.	16165356

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: CHEMBL2113129

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 931929