Detailed information for compound 931932

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 332.781 | Formula: C17H17ClN2O3
  • H donors: 3 H acceptors: 3 LogP: 0.61 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C[C@@H](C(=O)O)N)Nc1ccc(c(c1)C)c1ccc(cc1)Cl
  • InChi: 1S/C17H17ClN2O3/c1-10-8-13(20-16(21)9-15(19)17(22)23)6-7-14(10)11-2-4-12(18)5-3-11/h2-8,15H,9,19H2,1H3,(H,20,21)(H,22,23)/t15-/m0/s1
  • InChiKey: QMRRQNBUFUTPRG-HNNXBMFYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 3 Starlite/ChEMBL References
Homo sapiens solute carrier family 1 (neuronal/epithelial high affinity glutamate transporter, system Xag), member 1 Starlite/ChEMBL References
Homo sapiens solute carrier family 1 (glial high affinity glutamate transporter), member 2 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus excitatory amino acid transporter 2 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
Echinococcus multilocularis excitatory amino acid transporter 2 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
Brugia malayi Excitatory amino acid transporter 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 A 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 Excitatory amino acid transporter 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 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 A 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
Echinococcus granulosus neutral amino acid transporter A 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 neutral 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
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 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
Loa Loa (eye worm) excitatory amino acid transporter 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
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 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
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 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
Echinococcus multilocularis 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
Echinococcus granulosus excitatory amino acid transporter 2 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
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.011 0.0426
Brugia malayi Dopamine receptor 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.031 0.1201
Brugia malayi hypothetical protein 0.0104 0.0338 0.1311
Echinococcus granulosus sodium:dicarboxylate symporter 0.0457 0.2581 1
Schistosoma mansoni hypothetical protein 0.0104 0.0338 0.0924
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0457 0.2581 0.5
Schistosoma mansoni histamine h1 receptor 0.0104 0.0338 0.0924
Brugia malayi Serotonin/octopamine receptor family protein 7 0.0104 0.0338 0.1311
Echinococcus granulosus excitatory amino acid transporter 2 0.0457 0.2581 1
Brugia malayi hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni myosin xvIII 0.0104 0.0338 0.0924
Brugia malayi hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni peptide (allatostatin)-like receptor 0.0104 0.0338 0.0924
Loa Loa (eye worm) G-protein-linked acetylcholine receptor protein 2 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Leishmania major hypothetical protein, conserved 0.0051 0 0.5
Echinococcus multilocularis neutral amino acid transporter A 0.0457 0.2581 0.2321
Brugia malayi G-protein coupled receptor 0.0104 0.0338 0.1311
Schistosoma mansoni adenoreceptor 0.0104 0.0338 0.0924
Loa Loa (eye worm) melatonin receptor type 1A 0.0104 0.0338 0.1311
Echinococcus granulosus neutral amino acid transporter 0.0457 0.2581 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Brugia malayi putative neuropeptide receptor 0.0104 0.0338 0.1311
Schistosoma mansoni alpha-1 adrenergic receptor 0.0104 0.0338 0.0924
Brugia malayi G-protein-linked acetylcholine receptor protein 2, putative 0.0104 0.0338 0.1311
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0104 0.0338 0.0924
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Brugia malayi hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Brugia malayi hypothetical protein 0.0104 0.0338 0.1311
Echinococcus multilocularis Excitatory amino acid transporter 0.0457 0.2581 0.2321
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni muscarinic acetylcholine (GAR) receptor 0.0104 0.0338 0.0924
Schistosoma mansoni biogenic amine receptor 0.0104 0.0338 0.0924
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0 0.5
Schistosoma mansoni biogenic amine (5HT) receptor 0.0104 0.0338 0.0924
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0457 0.2581 0.2321
Schistosoma mansoni neuropeptide F-like receptor 0.0104 0.0338 0.0924
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni biogenic amine receptor 0.0104 0.0338 0.0924
Brugia malayi Serotonin receptor 0.0104 0.0338 0.1311
Loa Loa (eye worm) 5-hydroxytryptamine 2C receptor 0.0104 0.0338 0.1311
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0104 0.0338 0.0924
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) G-protein coupled receptor 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Echinococcus multilocularis excitatory amino acid transporter 2 0.0457 0.2581 0.2321
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Brugia malayi ORL1-like opioid receptor 0.0104 0.0338 0.1311
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0104 0.0338 0.0924
Loa Loa (eye worm) neuropeptide F receptor 0.0104 0.0338 0.1311
Echinococcus multilocularis geminin 0.0344 0.1862 0.1578
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0457 0.2581 0.2321
Schistosoma mansoni hypothetical protein 0.0104 0.0338 0.0924
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Brugia malayi hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Echinococcus multilocularis Excitatory amino acid transporter 0.0457 0.2581 0.2321
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0202 0.0965 0.0648
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Brugia malayi sulfakinin receptor protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0104 0.0338 0.0924
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0457 0.2581 0.5
Brugia malayi neuropeptide F receptor 0.0104 0.0338 0.1311
Brugia malayi hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0099 0.031 0.1201
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni peptide (allatostatin/somatostatin)-like receptor 0.0104 0.0338 0.0924
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Treponema pallidum glutamate/aspartate transporter 0.0202 0.0965 0.5
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0104 0.0338 0.0924
Brugia malayi Dopamine receptor protein 1, putative (partial) 0.0104 0.0338 0.1311
Schistosoma mansoni opsin-like receptor 0.0104 0.0338 0.0924
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0 0.5
Brugia malayi G protein-coupled receptor 0.0104 0.0338 0.1311
Brugia malayi RE15519p 0.0104 0.0338 0.1311
Brugia malayi hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Brugia malayi larval opioid receptor 0.0104 0.0338 0.1311
Brugia malayi Melatonin receptor type 1A 0.0104 0.0338 0.1311
Schistosoma mansoni biogenic amine receptor 0.0104 0.0338 0.0924
Schistosoma mansoni peptide (FMRFamide/somatostatin)-like receptor 0.0104 0.0338 0.0924
Schistosoma mansoni peptide (FMRFamide/neurokinin-3)-like receptor 0.0104 0.0338 0.0924
Brugia malayi follicle stimulating hormone receptor 0.0104 0.0338 0.1311
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0 0.5
Brugia malayi Tachykinin-like peptides receptor 99D 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Echinococcus granulosus Excitatory amino acid transporter 0.0457 0.2581 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0457 0.2581 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0202 0.0965 0.3459
Echinococcus multilocularis excitatory amino acid transporter 3 0.0457 0.2581 0.2321
Schistosoma mansoni neuropeptide f receptor 76f 0.0104 0.0338 0.0924
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0104 0.0338 0.0924
Treponema pallidum glutamate transporter 0.0202 0.0965 0.5
Schistosoma mansoni histamine-responsive GPCR (AAF21638) 0.0104 0.0338 0.0924
Chlamydia trachomatis glutamate symporter 0.0457 0.2581 1
Schistosoma mansoni neuropeptide F-like receptor 0.0104 0.0338 0.0924
Schistosoma mansoni biogenic amine (octopamine/dopamine) receptor 0.0104 0.0338 0.0924
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0202 0.0965 0.0648
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Brugia malayi Dopamine receptor protein 1 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni neuropeptide receptor 0.0104 0.0338 0.0924
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0104 0.0338 0.0924
Schistosoma mansoni growth hormone secretagogue receptor 0.0104 0.0338 0.0924
Brugia malayi neuropeptide F receptor 0.0104 0.0338 0.1311
Echinococcus granulosus neutral amino acid transporter A 0.0457 0.2581 1
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0104 0.0338 0.0924
Loa Loa (eye worm) TYRA-2 protein 0.0104 0.0338 0.1311
Echinococcus granulosus excitatory amino acid transporter 2 0.0457 0.2581 1
Echinococcus granulosus excitatory amino acid transporter 3 0.0457 0.2581 1
Brugia malayi Dopamine receptor protein 2 0.0104 0.0338 0.1311
Schistosoma mansoni biogenic amine (dopamine) receptor 0.0104 0.0338 0.0924
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0104 0.0338 0.0924
Brugia malayi G-protein coupled receptor 0.0104 0.0338 0.1311
Echinococcus multilocularis neutral amino acid transporter A 0.0457 0.2581 0.2321
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0 0.5
Schistosoma mansoni thyrotropin-releasing hormone receptor 0.0104 0.0338 0.0924
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni opsin-like receptor 0.0104 0.0338 0.0924
Schistosoma mansoni ancient conserved domain protein 2 (cyclin m2) 0.0104 0.0338 0.0924
Brugia malayi GnHR receptor homolog 0.0104 0.0338 0.1311
Schistosoma mansoni biogenic amine (5HT) receptor 0.0104 0.0338 0.0924
Brugia malayi AKH receptor 0.0104 0.0338 0.1311
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0 0.5
Schistosoma mansoni neuropeptide receptor 0.0104 0.0338 0.0924
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0104 0.0338 0.0924
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni hypothetical protein 0.0104 0.0338 0.0924
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) unidentified vitellogenin-linked transcript protein 6 0.0104 0.0338 0.1311
Loa Loa (eye worm) excitatory amino acid transporter 0.0457 0.2581 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Brugia malayi Serotonin receptor 0.0104 0.0338 0.1311
Echinococcus granulosus geminin 0.0344 0.1862 0.6796
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0 0.5
Schistosoma mansoni hypothetical protein 0.0344 0.1862 0.7092
Loa Loa (eye worm) gonadotropin-releasing hormone receptor 2 0.0104 0.0338 0.1311
Brugia malayi G protein-coupled receptor F59B2.13 0.0104 0.0338 0.1311
Schistosoma mansoni neuropeptide receptor 0.0104 0.0338 0.0924
Schistosoma mansoni opsin-like receptor 0.0104 0.0338 0.0924
Echinococcus granulosus neutral amino acid transporter A 0.0457 0.2581 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.031 0.1201
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0104 0.0338 0.0924
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0202 0.0965 0.3459
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0457 0.2581 1
Loa Loa (eye worm) G-protein coupled receptor 0.0104 0.0338 0.1311
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0104 0.0338 0.1311
Brugia malayi putative neuropeptide receptor NPR1 0.0104 0.0338 0.1311
Schistosoma mansoni amine GPCR 0.0104 0.0338 0.0924
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni amine GPCR 0.0104 0.0338 0.0924
Brugia malayi hypothetical protein 0.0104 0.0338 0.1311
Echinococcus multilocularis neutral amino acid transporter A 0.0457 0.2581 0.2321
Schistosoma mansoni hypothetical protein 0.0344 0.1862 0.7092
Brugia malayi Excitatory amino acid transporter 0.0457 0.2581 1
Schistosoma mansoni amine GPCR 0.0104 0.0338 0.0924
Brugia malayi gonadotropin-releasing hormone receptor 2 0.0104 0.0338 0.1311
Schistosoma mansoni neuropeptide receptor 0.0104 0.0338 0.0924
Brugia malayi Unidentified vitellogenin-linked transcript protein 6, putative 0.0104 0.0338 0.1311
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311
Echinococcus multilocularis excitatory amino acid transporter 2 0.0457 0.2581 0.2321
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.031 0.1201
Loa Loa (eye worm) neuropeptide F receptor 0.0104 0.0338 0.1311
Schistosoma mansoni rhodopsin-like orphan GPCR 0.0104 0.0338 0.0924
Brugia malayi hypothetical protein 0.0104 0.0338 0.1311
Schistosoma mansoni amine GPCR 0.0104 0.0338 0.0924
Schistosoma mansoni amine GPCR 0.0104 0.0338 0.0924
Echinococcus granulosus Excitatory amino acid transporter 0.0457 0.2581 1
Schistosoma mansoni hypothetical protein 0.0104 0.0338 0.0924
Loa Loa (eye worm) hypothetical protein 0.0068 0.011 0.0426
Loa Loa (eye worm) hypothetical protein 0.0104 0.0338 0.1311

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.2 uM Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 2 ChEMBL. 16165356
IC50 (binding) = 1.5 uM Inhibitory concentration against glutamate uptake in HEK cells expressing human Excitatory amino acid transporter 3 ChEMBL. 16165356
IC50 (binding) = 2 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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