Detailed information for compound 1053176

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.289 | Formula: C15H15FN2O4
  • H donors: 1 H acceptors: 3 LogP: 0.87 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCC(=O)N1CCC1ON=C(C1)c1ccc(c(c1)F)O
  • InChi: 1S/C15H15FN2O4/c16-11-7-9(1-2-13(11)19)12-8-10(22-17-12)5-6-18-14(20)3-4-15(18)21/h1-2,7,10,19H,3-6,8H2
  • InChiKey: QBGLVEXGOZXCRT-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
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 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
Giardia lamblia 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
Leishmania infantum macrophage migration inhibitory factor-like protein 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
Plasmodium vivax macrophage migration inhibitory factor, 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 mexicana 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
Leishmania donovani 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
Plasmodium berghei macrophage migration inhibitory factor 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
Plasmodium knowlesi macrophage migration inhibitory factor, putative 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
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

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 apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0 0.5
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0029 0.0506 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.0506 0.0574
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.3269 0.3705
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0506 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0506 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0506 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0506 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.3269 0.3705
Brugia malayi Bm-MIF-1, identical 0.0205 0.8823 1
Brugia malayi Pre-SET motif family protein 0.0202 0.8681 0.984
Brugia malayi Pre-SET motif family protein 0.0029 0.0506 0.0574
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.8823 0.8823
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0506 1
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.8823 1
Giardia lamblia Macrophage migration inhibitory factor 0.0205 0.8823 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0506 1
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0205 0.8823 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0028 0.0456 0.9006
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0205 0.8823 1
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0205 0.8823 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0 0.5
Plasmodium falciparum macrophage migration inhibitory factor 0.0205 0.8823 1
Plasmodium vivax SET domain protein, putative 0.0029 0.0506 0.0574
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0 0.5
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0205 0.8823 0.8823
Trichomonas vaginalis set domain proteins, putative 0.023 1 1
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0205 0.8823 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0202 0.8681 0.984
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0506 0.0574
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.8823 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 15 uM Inhibition of dopachrome tautomerase activity of MIF in human THP1 cells ChEMBL. 19592246
IC50 (binding) = 20 uM Inhibition of spontaneous secretion/release/recognition of MIF from freshly isolated human PBMC by ELISA ChEMBL. 19592246
IC50 (binding) = 50 uM Inhibition of dopachrome tautomerase activity of human recombinant MIF ChEMBL. 19592246
Inhibition (binding) = 14 % Inhibition of MIF-induced IL6 production in human PBMC at 100 uM by ELISA ChEMBL. 19592246
Inhibition (binding) = 27 % Inhibition of MIF-induced IL1-beta production in human PBMC at 100 uM by ELISA ChEMBL. 19592246
Inhibition (binding) = 39 % Inhibition of MIF-induced TNFalpha production in human PBMC at 100 uM by ELISA ChEMBL. 19592246

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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