Detailed information for compound 1186761

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 241.216 | Formula: C11H12FNO4
  • H donors: 3 H acceptors: 4 LogP: -1.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@H]([C@@H](C(=O)O)N)Cc1cccc(c1)F
  • InChi: 1S/C11H12FNO4/c12-7-3-1-2-6(4-7)5-8(10(14)15)9(13)11(16)17/h1-4,8-9H,5,13H2,(H,14,15)(H,16,17)/t8-,9-/m0/s1
  • InChiKey: VDRLEVBGTHZLMQ-IUCAKERBSA-N  


Substructure search Similarity search

Network

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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 (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
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate 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 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
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 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 multilocularis 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
Echinococcus granulosus excitatory amino acid transporter 3 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 granulosus neutral 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
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 multilocularis excitatory amino acid transporter 2 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
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
Loa Loa (eye worm) excitatory amino acid transporter 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 neutral amino acid transporter 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
Chlamydia trachomatis glutamate symporter 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
Echinococcus granulosus sodium:dicarboxylate symporter 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 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
Schistosoma japonicum ko:K05614 solute carrier family 1 (glial high affinity glutamate transporter),, putative 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
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0067 0.1702 0.3227
Echinococcus granulosus tar DNA binding protein 0.0069 0.1758 0.3339
Loa Loa (eye worm) hypothetical protein 0.0026 0.027 0.0289
Echinococcus multilocularis Excitatory amino acid transporter 0.0152 0.4656 0.917
Loa Loa (eye worm) MH2 domain-containing protein 0.0251 0.8081 1
Echinococcus multilocularis dna polymerase eta 0.005 0.1085 0.1985
Trypanosoma brucei DNA polymerase eta, putative 0.005 0.1085 0.0997
Echinococcus multilocularis tar DNA binding protein 0.0069 0.1758 0.3339
Brugia malayi beta-lactamase family protein 0.0035 0.0566 0.0585
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0979 0.1771
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.027 0.0379
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0566 0.0796
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0566 0.094
Echinococcus multilocularis geminin 0.0164 0.5068 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1758 0.3339
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0849 0.0757
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0979 0.1771
Echinococcus granulosus excitatory amino acid transporter 2 0.0152 0.4656 0.917
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.1758 0.2079
Brugia malayi beta-lactamase 0.0035 0.0566 0.0585
Echinococcus multilocularis neutral amino acid transporter A 0.0152 0.4656 0.917
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0566 0.1074
Brugia malayi Muscleblind-like protein 0.0163 0.5027 0.6174
Loa Loa (eye worm) TAR-binding protein 0.0069 0.1758 0.2139
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0067 0.1702 0.3227
Leishmania major hypothetical protein, conserved 0.0035 0.0566 0.0472
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0566 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.027 0.0289
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0631 0.1072
Echinococcus multilocularis excitatory amino acid transporter 2 0.0152 0.4656 0.917
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.027 0.0472
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0979 0.1771
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0566 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.027 0.0173
Echinococcus multilocularis muscleblind protein 0.0163 0.5027 0.9917
Echinococcus granulosus sodium:dicarboxylate symporter 0.0152 0.4656 0.917
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.027 0.0472
Giardia lamblia DINP protein human, muc B family 0.0021 0.0099 0.5
Onchocerca volvulus 0.0035 0.0566 0.0676
Echinococcus multilocularis excitatory amino acid transporter 2 0.0152 0.4656 0.917
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.027 0.3207
Echinococcus multilocularis Excitatory amino acid transporter 0.0152 0.4656 0.917
Echinococcus multilocularis excitatory amino acid transporter 3 0.0152 0.4656 0.917
Onchocerca volvulus 0.0035 0.0566 0.0676
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.4391 0.4335
Echinococcus granulosus neutral amino acid transporter 0.0152 0.4656 0.917
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.027 0.0173
Loa Loa (eye worm) hypothetical protein 0.0035 0.0566 0.0657
Schistosoma mansoni hypothetical protein 0.0164 0.5068 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.027 0.0214
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1758 0.3339
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0979 0.1771
Echinococcus multilocularis muscleblind protein 1 0.0163 0.5027 0.9917
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0152 0.4656 1
Echinococcus granulosus Excitatory amino acid transporter 0.0152 0.4656 0.917
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0099 0.0076
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0849 0.0757
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.027 0.3207
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0566 0.0472
Toxoplasma gondii hypothetical protein 0.0049 0.1069 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0145 0.4391 0.4335
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0152 0.4656 0.917
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.1085 0.0997
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0849 0.0757
Entamoeba histolytica hypothetical protein 0.0037 0.0631 1
Loa Loa (eye worm) transcription factor SMAD2 0.0251 0.8081 1
Loa Loa (eye worm) hypothetical protein 0.005 0.1085 0.1303
Brugia malayi AMP-binding enzyme family protein 0.0026 0.027 0.0214
Loa Loa (eye worm) hypothetical protein 0.0035 0.0566 0.0657
Loa Loa (eye worm) hypothetical protein 0.0026 0.027 0.0289
Mycobacterium ulcerans lipase LipD 0.0035 0.0566 0.1074
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.027 0.0379
Brugia malayi AMP-binding enzyme family protein 0.0026 0.027 0.0214
Loa Loa (eye worm) hypothetical protein 0.0035 0.0566 0.0657
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.027 0.0472
Mycobacterium ulcerans beta-lactamase 0.0035 0.0566 0.1074
Mycobacterium tuberculosis Conserved protein 0.0035 0.0566 0.0796
Loa Loa (eye worm) hypothetical protein 0.0163 0.5027 0.6204
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0566 1
Echinococcus granulosus dna polymerase eta 0.005 0.1085 0.1985
Entamoeba histolytica hypothetical protein 0.0037 0.0631 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1758 0.3339
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0566 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0566 0.0657
Brugia malayi MH2 domain containing protein 0.0251 0.8081 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.027 0.0472
Treponema pallidum glutamate/aspartate transporter 0.0067 0.1702 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.7112 1
Echinococcus granulosus geminin 0.0164 0.5068 1
Loa Loa (eye worm) RNA binding protein 0.0069 0.1758 0.2139
Onchocerca volvulus 0.0035 0.0566 0.0676
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1758 0.3339
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0152 0.4656 0.917
Mycobacterium tuberculosis Conserved protein 0.0035 0.0566 0.0796
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0566 0.094
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0067 0.1702 0.3227
Mycobacterium ulcerans hypothetical protein 0.0161 0.496 1
Echinococcus granulosus excitatory amino acid transporter 3 0.0152 0.4656 0.917
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0152 0.4656 0.6546
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0979 0.1771
Brugia malayi Excitatory amino acid transporter 0.0152 0.4656 0.5709
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0099 0.0139
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0979 0.1102
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0566 0.0657
Entamoeba histolytica hypothetical protein 0.0037 0.0631 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0631 0.1072
Schistosoma mansoni DNA polymerase eta 0.005 0.1085 0.1985
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0152 0.4656 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0631 0.1072
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0566 0.0472
Loa Loa (eye worm) hypothetical protein 0.0035 0.0566 0.0657
Echinococcus granulosus neutral amino acid transporter A 0.0152 0.4656 0.917
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0566 0.0796
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0566 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0099 0.0139
Loa Loa (eye worm) beta-lactamase 0.0035 0.0566 0.0657
Loa Loa (eye worm) hypothetical protein 0.0035 0.0566 0.0657
Schistosoma mansoni hypothetical protein 0.0037 0.0631 0.1072
Loa Loa (eye worm) hypothetical protein 0.0163 0.5027 0.6204
Brugia malayi beta-lactamase family protein 0.0035 0.0566 0.0585
Entamoeba histolytica hypothetical protein 0.0037 0.0631 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0566 0.094
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0566 0.1074
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0566 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0566 0.1074
Mycobacterium leprae Probable lipase LipE 0.0035 0.0566 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.1758 0.3339
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0566 1
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0566 0.0796
Brugia malayi hypothetical protein 0.0037 0.0631 0.0667
Brugia malayi RNA binding protein 0.0069 0.1758 0.2079
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0979 0.1771
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.027 0.0173
Chlamydia trachomatis glutamate symporter 0.0152 0.4656 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0979 0.117
Echinococcus granulosus Excitatory amino acid transporter 0.0152 0.4656 0.917
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.1176 0.1088
Echinococcus multilocularis neutral amino acid transporter A 0.0152 0.4656 0.917
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.002 0.0037 0.0053
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.057 0.0476
Echinococcus granulosus neutral amino acid transporter A 0.0152 0.4656 0.917
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0099 0.0125
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0566 0.0585
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.057 0.0078
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.027 0.0472
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0566 0.094
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.496 0.6974
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.1758 0.2139
Leishmania major DNA polymerase eta, putative 0.0035 0.057 0.0476
Schistosoma mansoni hypothetical protein 0.0164 0.5068 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0566 0.0796
Leishmania major DNA polymerase eta, putative 0.005 0.1085 0.0997
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0849 0.0757
Trichomonas vaginalis esterase, putative 0.0035 0.0566 1
Echinococcus granulosus muscleblind protein 0.0163 0.5027 0.9917
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.027 0.3207
Chlamydia trachomatis neutral amino acid transporter 0.0067 0.1702 0.3605
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.027 0.0472
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0566 0.0796
Plasmodium falciparum acyl-CoA synthetase 0.002 0.0037 0.5
Brugia malayi TAR-binding protein 0.0069 0.1758 0.2079
Brugia malayi ImpB/MucB/SamB family protein 0.005 0.1085 0.1236
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0566 0.0796
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0566 0.0796
Loa Loa (eye worm) excitatory amino acid transporter 0.0152 0.4656 0.5742
Treponema pallidum glutamate transporter 0.0067 0.1702 0.5
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0152 0.4656 0.917
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0067 0.1702 0.3227
Echinococcus granulosus excitatory amino acid transporter 2 0.0152 0.4656 0.917
Mycobacterium ulcerans hypothetical protein 0.0026 0.027 0.0472
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0566 0.0472
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0099 0.0125
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0566 0.0796
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.4391 0.4335
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.027 0.0472
Echinococcus multilocularis neutral amino acid transporter A 0.0152 0.4656 0.917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0979 0.1771

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.46 uM Displacement of [3H]D-aspartate from human EAAT3 expressed in mouse C17.2 cells ChEMBL. 18650095

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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