Detailed information for compound 344575

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: NC(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)
  • InChiKey: WDYJIQGHSWOBSI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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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
Obtained from network model

Ranking Plot

Putative Targets List

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

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

Bibliographic References

1 literature reference was collected for this gene.

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