Detailed information for compound 1722684

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 291.344 | Formula: C19H17NO2
  • H donors: 0 H acceptors: 1 LogP: 4.41 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)Oc1cc(C)nc(c1)c1ccccc1
  • InChi: 1S/C19H17NO2/c1-14-11-18(22-17-10-6-9-16(12-17)21-2)13-19(20-14)15-7-4-3-5-8-15/h3-13H,1-2H3
  • InChiKey: DCBQPDIKYSSVDF-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
Plasmodium falciparum macrophage migration inhibitory factor Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Neospora caninum Macrophage migration inhibitory factor, related 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
Entamoeba histolytica 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
Loa Loa (eye worm) 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
Trichomonas vaginalis macrophage migration inhibitory factor, mif, 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 major 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 mexicana 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
Trichomonas vaginalis conserved hypothetical 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
Giardia lamblia Macrophage migration inhibitory factor 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 vivax macrophage migration inhibitory factor, putative 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 mexicana 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 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 0.5197 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0205 0.5197 0.8777
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.5921 0.5921
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.2845 0.4805
Loa Loa (eye worm) hypothetical protein 0.0102 0.2041 0.3447
Brugia malayi Bm-MIF-1, identical 0.0205 0.5197 0.8777
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0205 0.5197 1
Loa Loa (eye worm) hypothetical protein 0.0228 0.5921 1
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0205 0.5197 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.1607 0.2714
Loa Loa (eye worm) hypothetical protein 0.0069 0.1059 0.1788
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.5921 0.5921
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.5731 1
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0205 0.5197 1
Schistosoma mansoni hypothetical protein 0.0069 0.1059 1
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.2845 0.4805
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.2041 0.3447
Schistosoma mansoni survival motor neuron protein 0.0047 0.0361 0.3411
Onchocerca volvulus 0.0047 0.0361 0.6498
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0361 0.061
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0556 0.5249
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.2041 0.3447
Onchocerca volvulus 0.0053 0.0556 1
Schistosoma mansoni hypothetical protein 0.0047 0.0361 0.3411
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.5197 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0556 0.0939
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.1059 0.1788
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.5197 1
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.5197 1
Brugia malayi hypothetical protein 0.0228 0.5921 1
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0205 0.5197 1
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.1607 0.2714
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.2041 0.3447
Brugia malayi MH2 domain containing protein 0.0128 0.2845 0.4805
Plasmodium falciparum macrophage migration inhibitory factor 0.0205 0.5197 0.5

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 7.7 uM Inhibition of recombinant Plasmodium falciparum MIF expressed in Escherichia coli BL21 (DE3) assessed as ketonization of enol form of 4-HPP substrate after 10 mins ChEMBL. 23067344

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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