Detailed information for compound 104353

Basic information

Technical information
  • TDR Targets ID: 104353
  • Name: 6,7-dichloro-2-oxo-1H-quinoline-3-carboxylic acid
  • MW: 258.058 | Formula: C10H5Cl2NO3
  • H donors: 2 H acceptors: 4 LogP: 3.5 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cc2cc(C(=O)O)c(nc2cc1Cl)O
  • InChi: 1S/C10H5Cl2NO3/c11-6-2-4-1-5(10(15)16)9(14)13-8(4)3-7(6)12/h1-3H,(H,13,14)(H,15,16)
  • InChiKey: FXPCDOMAELDVCO-UHFFFAOYSA-N  

Network

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Synonyms

  • 6,7-dichloro-2-keto-1H-quinoline-3-carboxylic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate NMDA receptor Starlite/ChEMBL References
Rattus norvegicus Glutamate receptor ionotropic, kainate Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Glutamate receptor ionotropic, kainate   956 aa 823 aa 37.9 %
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Glutamate receptor ionotropic, kainate   956 aa 780 aa 35.6 %
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Glutamate receptor ionotropic, kainate   956 aa 823 aa 37.5 %
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Glutamate receptor ionotropic, kainate   956 aa 780 aa 36.0 %
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Glutamate receptor ionotropic, kainate   956 aa 872 aa 38.0 %
Drosophila melanogaster Glutamate receptor IA Glutamate receptor ionotropic, kainate   956 aa 767 aa 33.4 %
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 Glutamate receptor ionotropic, kainate   956 aa 846 aa 26.4 %
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Glutamate receptor ionotropic, kainate   956 aa 868 aa 37.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium ulcerans proteasome PrcB 0.0173 1 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0047 0.0682 0.0682
Trypanosoma brucei proteasome subunit beta type-5, putative 0.0173 1 0.5
Echinococcus multilocularis glutamate receptor 2 0.0049 0.0864 0.0864
Plasmodium falciparum proteasome subunit beta type-5 0.0173 1 0.5
Echinococcus granulosus proteasome subunit beta type 7 0.0141 0.7635 0.7635
Brugia malayi Proteasome A-type and B-type family protein 0.0141 0.7635 0.7411
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0049 0.0864 0.0864
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0062 0.1773 0.1773
Echinococcus granulosus proteasome prosome macropain 0.0173 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0062 0.1773 0.1773
Echinococcus granulosus glutamate receptor 2 0.0062 0.1773 0.1773
Toxoplasma gondii proteasome subunit beta type, putative 0.0173 1 0.5
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0062 0.1773 0.1773
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0062 0.1773 0.1773
Loa Loa (eye worm) proteasome A-type and B-type family protein 0.0173 1 1
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0062 0.1773 0.1773
Schistosoma mansoni glutamate receptor NMDA 0.0062 0.1773 0.0995
Schistosoma mansoni proteasome catalytic subunit 3 (T01 family) 0.0173 1 1
Leishmania major proteasome beta 5 subunit, putative 0.0173 1 0.5
Trichomonas vaginalis Family T1, proteasome beta subunit, threonine peptidase 0.0173 1 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0062 0.1773 0.1773
Schistosoma mansoni proteasome catalytic subunit 2 (T01 family) 0.0141 0.7635 0.7411
Echinococcus multilocularis nmda type glutamate receptor 0.0047 0.0682 0.0682
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0062 0.1773 0.1773
Plasmodium vivax proteasome subunit beta type-5, putative 0.0173 1 0.5
Mycobacterium tuberculosis Proteasome beta subunit PrcB; assembles with alpha subunit PrcA. 0.0173 1 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0047 0.0682 0.0682
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0173 1 0.5
Giardia lamblia Proteasome subunit beta type 5 precursor 0.0173 1 0.5
Echinococcus granulosus glutamate NMDA receptor subunit 0.0049 0.0864 0.0864
Echinococcus multilocularis proteasome subunit beta type 7 0.0141 0.7635 0.7635
Echinococcus multilocularis proteasome (prosome, macropain) 0.0173 1 1
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0062 0.1773 0.1773
Entamoeba histolytica proteasome subunit beta type 5 precursor, putative 0.0173 1 0.5
Mycobacterium leprae proteasome (beta subunit) PrcB 0.0173 1 0.5
Echinococcus multilocularis glutamate receptor 2 0.0062 0.1773 0.1773
Trypanosoma cruzi proteasome subunit beta type-5, putative 0.0173 1 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.81 uM Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1 in Xenopus oocytes ChEMBL. 8568808
IC50 (functional) = 0.81 uM Antagonistic activity against N-methyl-D-aspartate glutamate receptor 1 in Xenopus oocytes ChEMBL. 8568808
IC50 (functional) = 10 uM Antagonistic activity against rat ionotropic glutamate receptor ionotropic kainate in xenopus oocytes ChEMBL. 8568808
IC50 (functional) = 10 uM Antagonistic activity against rat ionotropic glutamate receptor ionotropic kainate in xenopus oocytes ChEMBL. 8568808
Selectivity (binding) = 0.08 Selectivity between AMPA/kainate receptor and NMDA/glycine receptor ChEMBL. 8568808

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.