Detailed information for compound 1264549

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 301.294 | Formula: C16H15NO5
  • H donors: 1 H acceptors: 2 LogP: 2.4 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)cccc1Cn1c(=O)oc2c1cc(O)cc2
  • InChi: 1S/C16H15NO5/c1-20-14-5-3-4-10(15(14)21-2)9-17-12-8-11(18)6-7-13(12)22-16(17)19/h3-8,18H,9H2,1-2H3
  • InChiKey: QZPMKGFHOHTVBE-UHFFFAOYSA-N  

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 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
Leishmania mexicana macrophage migration inhibitory factor-like protein 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
Leishmania donovani 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
Giardia lamblia 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
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
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
Leishmania major macrophage migration inhibitory factor-like 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 mexicana macrophage migration inhibitory factor-like protein 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
Leishmania donovani macrophage migration inhibitory factor-like protein 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
Plasmodium berghei macrophage migration inhibitory factor Get druggable targets OG5_129767 All targets in OG5_129767
Plasmodium knowlesi macrophage migration inhibitory factor, putative 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
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
Plasmodium yoelii hypothetical 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
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2526 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0133 0.0147
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.3772 0.4011
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1435 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1435 0.5614
Loa Loa (eye worm) hypothetical protein 0.0035 0.1435 0.1359
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0133 0.0147
Onchocerca volvulus 0.0035 0.1435 1
Loa Loa (eye worm) beta-lactamase 0.0035 0.1435 0.1359
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.2248 0.1067
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0205 0.905 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0133 0.0147
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.2526 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0133 0.0147
Mycobacterium leprae Probable lipase LipE 0.0035 0.1435 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0133 0.0147
Schistosoma mansoni cpg binding protein 0.003 0.1186 0.4619
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.2526 0.9965
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0133 0.0147
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0133 0.0147
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0238 0.0327
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.1435 0.5
Brugia malayi CXXC zinc finger family protein 0.0028 0.1114 0.0999
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0133 0.0147
Loa Loa (eye worm) hypothetical protein 0.0035 0.1435 0.1359
Loa Loa (eye worm) hypothetical protein 0.0035 0.1435 0.1359
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1435 0.1586
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0133 0.0147
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.1435 0.1363
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0133 0.0147
Echinococcus multilocularis cpg binding protein 0.003 0.1186 0.4334
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.2526 0.9965
Brugia malayi beta-lactamase 0.0035 0.1435 0.1363
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1435 0.1586
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0238 0.0327
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0133 0.0147
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2526 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.1435 0.5388
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.905 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.1435 0.5388
Echinococcus granulosus cpg binding protein 0.003 0.1186 0.4334
Plasmodium falciparum macrophage migration inhibitory factor 0.0205 0.905 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.2526 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0133 0.0147
Brugia malayi Bm-MIF-1, identical 0.0205 0.905 1
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.1435 0.5
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0205 0.905 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0133 0.0147
Brugia malayi beta-lactamase family protein 0.0035 0.1435 0.1363
Onchocerca volvulus 0.0035 0.1435 1
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0205 0.905 1
Trichomonas vaginalis conserved hypothetical protein 0.0006 0.0133 0.0147
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1435 0.1586
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.2526 0.1433
Giardia lamblia Macrophage migration inhibitory factor 0.0205 0.905 0.5
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.905 1
Mycobacterium leprae conserved hypothetical protein 0.0035 0.1435 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.1435 0.1359
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.2535 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.2526 0.1274
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.1114 0.0994
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.2526 0.1433
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.1435 0.1586
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0133 0.0147
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0161 0.0531
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0006 0.0133 0.0147
Trichomonas vaginalis esterase, putative 0.0035 0.1435 0.1586
Brugia malayi beta-lactamase family protein 0.0035 0.1435 0.1363
Schistosoma mansoni cpg binding protein 0.0028 0.1114 0.4331
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.905 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.2526 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.3772 0.4011
Loa Loa (eye worm) hypothetical protein 0.0035 0.1435 0.1359
Loa Loa (eye worm) hypothetical protein 0.0035 0.1435 0.1359
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0205 0.905 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.1435 0.5614
Trichomonas vaginalis helicase, putative 0.0006 0.0133 0.0147
Schistosoma mansoni cpg binding protein 0.003 0.1186 0.4619
Loa Loa (eye worm) hypothetical protein 0.0035 0.1435 0.1359
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0006 0.0133 0.0147
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0205 0.905 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.1435 0.1586
Onchocerca volvulus 0.0035 0.1435 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.1 uM Inhibition of human recombinant MIF tautomerase ChEMBL. 20728358
IC50 (binding) = 300 uM Inhibition of human recombinant biotinylated MIF/CD74 interaction after 30 mins ChEMBL. 20728358

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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