Detailed information for compound 261267

Basic information

Technical information
  • TDR Targets ID: 261267
  • Name: 7-Hydroxy-2-Oxo-Chromene-3-Carboxylic Acid Et hyl Ester
  • MW: 234.205 | Formula: C12H10O5
  • H donors: 1 H acceptors: 3 LogP: 1.98 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cc2ccc(cc2oc1=O)O
  • InChi: 1S/C12H10O5/c1-2-16-11(14)9-5-7-3-4-8(13)6-10(7)17-12(9)15/h3-6,13H,2H2,1H3
  • InChiKey: IETDBZQIWIJQJG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • ethyl 7-hydroxy-2-oxochromene-3-carboxylate
  • ethyl 7-hydroxy-2-oxo-chromene-3-carboxylate
  • 7-hydroxy-2-oxo-1-benzopyran-3-carboxylic acid ethyl ester
  • 7-hydroxy-2-keto-chromene-3-carboxylic acid ethyl ester
  • 7-hydroxy-2-oxo-3-chromenecarboxylic acid ethyl ester
  • 6093-71-6
  • 2H-1-Benzopyran-3-carboxylic acid, 7-hydroxy-2-oxo-, ethyl ester
  • Ethyl 7-hydroxy-2-oxo-2H-1-benzopyran-3-carboxylate
  • 7-Hydroxycoumarin-3-carboxylic acid ethyl ester
  • ZINC00057354
  • BIM-0006912.P001
  • ST5114628
  • YZ9
  • H8153_SIGMA
  • CBMicro_006943
  • EU-0000380
  • 7-Hydroxy-2-oxo-2H-chromene-3-carboxylic acid ethyl ester
  • Oprea1_247935
  • Ethyl umbelliferone-3-carboxylate
  • Oprea1_714483
  • BAS 00687086

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens macrophage migration inhibitory factor (glycosylation-inhibiting factor) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium knowlesi macrophage migration inhibitory factor, putative Get druggable targets OG5_129767 All targets in OG5_129767
Toxoplasma gondii macrophage migration inhibitory factor, putative Get druggable targets OG5_129767 All targets in OG5_129767
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania major macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Neospora caninum Macrophage migration inhibitory factor, related Get druggable targets OG5_129767 All targets in OG5_129767
Trichomonas vaginalis conserved hypothetical protein Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania infantum macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Entamoeba histolytica macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania mexicana macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Plasmodium berghei macrophage migration inhibitory factor Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania major macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Giardia lamblia Macrophage migration inhibitory factor Get druggable targets OG5_129767 All targets in OG5_129767
Plasmodium falciparum macrophage migration inhibitory factor Get druggable targets OG5_129767 All targets in OG5_129767
Loa Loa (eye worm) macrophage migration inhibitory factor Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania mexicana macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Brugia malayi Bm-MIF-1, identical Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania infantum macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania donovani macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania donovani macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767
Plasmodium yoelii hypothetical protein Get druggable targets OG5_129767 All targets in OG5_129767
Plasmodium vivax macrophage migration inhibitory factor, putative Get druggable targets OG5_129767 All targets in OG5_129767
Leishmania braziliensis macrophage migration inhibitory factor-like protein Get druggable targets OG5_129767 All targets in OG5_129767

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
Giardia lamblia Macrophage migration inhibitory factor 0.0205 0.6692 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.2414 0.3607
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0205 0.6692 0.5
Brugia malayi Bm-MIF-1, identical 0.0205 0.6692 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0284 0.9594 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0021 0 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.2414 0.3607
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0205 0.6692 0.5
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0205 0.6692 0.5
Schistosoma mansoni retinoic acid receptor RXR 0.0296 1 1
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0205 0.6692 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0021 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0021 0 0.5
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0205 0.6692 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.6692 0.5
Onchocerca volvulus 0.0021 0 0.5
Plasmodium falciparum macrophage migration inhibitory factor 0.0205 0.6692 0.5
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.6692 0.5
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.6692 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine at 100 uM after 15 mins by microplate fluorescence assay ChEMBL. 21872365
Inhibition (binding) Displacement of [3H]estradiol human recombinant 17beta-HSD2 expressed in Escherichia coli BL21 (DE3)-RIL at 0.6 uM by scintillation counting in presence of NAD+ ChEMBL. 21138273
Inhibition (binding) Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine at 100 uM after 15 mins by microplate fluorescence assay ChEMBL. 21872365
Inhibition (binding) Displacement of [3H]estradiol human recombinant 17beta-HSD2 expressed in Escherichia coli BL21 (DE3)-RIL at 6 uM by scintillation counting in presence of NAD+ ChEMBL. 21138273
Inhibition (binding) = 17 % Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL at 6 uM by scintillation counting in presence of NADPH ChEMBL. 21138273
Ki (binding) = 7.4 uM Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF) ChEMBL. 11170644
Ki (binding) = 7.4 uM Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF) ChEMBL. 11170644
Ki (binding) = 7.4 uM Inhibition of human recombinant MIF tautomerase ChEMBL. 19090668

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

4 literature references were collected for this gene.

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