Detailed information for compound 73427

Basic information

Technical information
  • TDR Targets ID: 73427
  • Name: 2-[4-(5-chloroquinoxalin-2-yl)oxyphenoxy]prop anoic acid
  • MW: 344.749 | Formula: C17H13ClN2O4
  • H donors: 1 H acceptors: 4 LogP: 3.67 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(C(=O)O)Oc1ccc(cc1)Oc1cnc2c(n1)cccc2Cl
  • InChi: 1S/C17H13ClN2O4/c1-10(17(21)22)23-11-5-7-12(8-6-11)24-15-9-19-16-13(18)3-2-4-14(16)20-15/h2-10H,1H3,(H,21,22)
  • InChiKey: HRYZPOKQOWSJHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[(5-chloro-2-quinoxalinyl)oxy]phenoxy]propanoic acid
  • 2-[4-(5-chloroquinoxalin-2-yl)oxyphenoxy]propionic acid

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
Trypanosoma cruzi polyprenyl synthase, putative 0.0635 0.7344 0.7344
Schistosoma mansoni glutathione synthetase 0.0179 0.0763 0.104
Echinococcus multilocularis decaprenyl diphosphate synthase subunit 1 0.0179 0.0763 0.104
Loa Loa (eye worm) hypothetical protein 0.0181 0.0787 0.1072
Brugia malayi Polyprenyl synthetase family protein 0.0179 0.0763 0.104
Trichomonas vaginalis geranylgeranyl diphosphate synthase, putative 0.0269 0.2069 1
Entamoeba histolytica geranylgeranyl pyrophosphate synthetase, putative 0.0179 0.0763 0.9697
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0181 0.0787 0.1072
Loa Loa (eye worm) geranylgeranyl pyrophosphate synthetase 0.0635 0.7344 1
Echinococcus granulosus prenyl decaprenyl diphosphate synthase 0.0179 0.0763 0.104
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0269 0.2069 1
Echinococcus multilocularis farnesyl pyrophosphate synthase 0.0269 0.2069 0.2818
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0181 0.0787 0.3804
Loa Loa (eye worm) polyprenyl synthetase 0.0179 0.0763 0.104
Entamoeba histolytica geranylgeranyl pyrophosphate synthase, putative 0.0179 0.0763 0.9697
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0181 0.0787 0.1072
Onchocerca volvulus NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog 0.0255 0.1867 0.5
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0134 0.0112 0.0543
Giardia lamblia Farnesyl diphosphate synthase 0.0269 0.2069 1
Trypanosoma cruzi farnesyl pyrophosphate synthase 0.0269 0.2069 0.2069
Giardia lamblia Rab geranylgeranyltransferase 0.0181 0.0787 0.3804
Loa Loa (eye worm) polyprenyl synthetase 0.0269 0.2069 0.2818
Echinococcus multilocularis prenyl (decaprenyl) diphosphate synthase 0.0179 0.0763 0.104
Trypanosoma brucei squalene synthase, putative 0.0819 1 1
Mycobacterium ulcerans phytoene synthase, CrtB 0.0255 0.1867 0.8449
Trypanosoma brucei farnesyl pyrophosphate synthase 0.0269 0.2069 0.2069
Chlamydia trachomatis geranylgeranyl pyrophosphate synthase 0.0179 0.0763 0.5
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0179 0.0763 0.5
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0181 0.0787 0.3804
Plasmodium vivax octaprenyl pyrophosphate synthase, putative 0.0179 0.0763 0.3689
Brugia malayi Polyprenyl synthetase family protein 0.0269 0.2069 0.2818
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0269 0.2069 1
Trypanosoma cruzi solanesyl-diphosphate synthase 0.0179 0.0763 0.0763
Echinococcus multilocularis Squalene phytoene synthase 0.0255 0.1867 0.2542
Toxoplasma gondii hypothetical protein 0.0134 0.0112 0.0543
Mycobacterium leprae PROBABLE POLYPRENYL-DIPHOSPHATE SYNTHASE GRCC1 (POLYPRENYL PYROPHOSPHATE SYNTHETASE) 0.0179 0.0763 0.5
Trypanosoma cruzi phytoene synthase, putative 0.0255 0.1867 0.1867
Echinococcus multilocularis geranylgeranyl pyrophosphate synthase 0.0635 0.7344 1
Echinococcus granulosus decaprenyl diphosphate synthase subunit 1 0.0179 0.0763 0.104
Trypanosoma cruzi squalene synthase, putative 0.0819 1 1
Echinococcus granulosus geranylgeranyl pyrophosphate synthase 0.0635 0.7344 1
Wolbachia endosymbiont of Brugia malayi geranylgeranyl pyrophosphate synthase 0.0179 0.0763 0.5
Brugia malayi geranylgeranyl pyrophosphate synthetase 0.0635 0.7344 1
Plasmodium falciparum octaprenyl pyrophosphate synthase 0.0179 0.0763 0.3689
Mycobacterium tuberculosis Probable geranylgeranyl pyrophosphate synthetase IdsA2 (ggppsase) (GGPP synthetase) (geranylgeranyl diphosphate synthase) 0.0269 0.2069 1
Plasmodium falciparum geranylgeranyl pyrophosphate synthase, putative 0.0269 0.2069 1
Plasmodium vivax geranylgeranyl pyrophosphate synthase 0.0269 0.2069 1
Schistosoma mansoni geranylgeranyl pyrophosphate synthase 0.0635 0.7344 1
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0181 0.0787 0.1072
Schistosoma mansoni hypothetical protein 0.0255 0.1867 0.2542
Trypanosoma brucei solanesyl-diphosphate synthase, putative 0.0179 0.0763 0.0763
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0181 0.0787 0.3804
Loa Loa (eye worm) hypothetical protein 0.0255 0.1867 0.2542
Trypanosoma cruzi polyprenyl synthase, putative 0.0635 0.7344 0.7344
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0269 0.2069 1
Echinococcus granulosus Squalene phytoene synthase 0.0255 0.1867 0.2542
Trypanosoma cruzi squalene synthase, putative 0.0819 1 1
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0181 0.0787 0.3804
Schistosoma mansoni trans-prenyltransferase 0.0179 0.0763 0.104
Leishmania major solanesyl-diphosphate synthase, putative 0.0179 0.0763 0.0763
Toxoplasma gondii polyprenyl synthetase superfamily protein 0.0179 0.0763 0.3689
Leishmania major farnesyl pyrophosphate synthase 0.0269 0.2069 0.2069
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0181 0.0787 1
Mycobacterium ulcerans geranylgeranyl pyrophosphate synthase 0.0269 0.2069 1
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0179 0.0763 0.0763
Mycobacterium tuberculosis Probable phytoene synthase PhyA 0.0255 0.1867 0.8449
Echinococcus granulosus farnesyl pyrophosphate synthase 0.0269 0.2069 0.2818
Trypanosoma cruzi farnesyl pyrophosphate synthase, putative 0.0269 0.2069 0.2069
Leishmania major polyprenyl synthase, putative 0.0635 0.7344 0.7344
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0181 0.0787 0.3804
Schistosoma mansoni farnesyl pyrophosphate synthase 0.0269 0.2069 0.2818
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0181 0.0787 0.1072
Treponema pallidum octaprenyl-diphosphate synthase 0.0635 0.7344 0.5
Trichomonas vaginalis geranylgeranyl pyrophosphate synthase, putative 0.0269 0.2069 1
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0181 0.0787 0.1072
Entamoeba histolytica bifunctional short chain isoprenyl diphosphate synthase, putative 0.0179 0.0763 0.9697
Trypanosoma cruzi solanesyl-diphosphate synthase, putative 0.0179 0.0763 0.0763
Leishmania major hypothetical protein, conserved 0.0255 0.1867 0.1867

Activities

Activity type Activity value Assay description Source Reference
Activity rating (functional) < 0.7 In vivo activity tested against C3H mice bearing panc-03 murine tumor measured as activity rating at 561 mg/kg (po) ChEMBL. 11356111
Body weight loss (functional) = -2 % In vivo activity tested against C3H mice bearing panc-03 murine tumor measured as body weight loss at 1010 mg/kg (po) ChEMBL. 11356111
Body weight loss (functional) = -2 % In vivo activity tested against C3H mice bearing panc-03 murine tumor measured as body weight loss at 1010 mg/kg (po) ChEMBL. 11356111
Body weight loss (functional) = 2 % In vivo activity tested against C3H mice bearing panc-03 murine tumor measured as body weight loss at 561 mg/kg (po) ChEMBL. 11356111
Body weight loss (functional) = 2 % In vivo activity tested against C3H mice bearing panc-03 murine tumor measured as body weight loss at 561 mg/kg (po) ChEMBL. 11356111
Log kill (functional) 0 In vivo activity tested against C3H mice bearing panc-03 murine tumor measured as log Kill value was based on tumors that grew at 561 mg/kg (po); None ChEMBL. 11356111
Log kill (functional) = 0.27 In vivo activity tested against C3H mice bearing panc-03 murine tumor measured as log Kill value was based on tumors that grew at 1010 mg/kg (po) ChEMBL. 11356111
T/C (functional) = 59 % In vivo activity tested against C3H mice bearing panc-03 murine tumor measured as % treated/control calculated at 1010 mg/kg (po) ChEMBL. 11356111
T/C (functional) = 59 % In vivo activity tested against C3H mice bearing panc-03 murine tumor measured as % treated/control calculated at 1010 mg/kg (po) ChEMBL. 11356111
T/C (functional) > 100 % In vivo activity tested against C3H mice bearing panc-03 murine tumor measured as % treated/control calculated at 561 mg/kg (po) ChEMBL. 11356111
T/C (functional) > 100 % In vivo activity tested against C3H mice bearing panc-03 murine tumor measured as % treated/control calculated at 561 mg/kg (po) ChEMBL. 11356111

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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