Detailed information for compound 1715564

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 292.332 | Formula: C18H16N2O2
  • H donors: 0 H acceptors: 2 LogP: 4.1 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)Oc1cc(C)nc(n1)c1ccccc1
  • InChi: 1S/C18H16N2O2/c1-13-11-17(22-16-10-6-9-15(12-16)21-2)20-18(19-13)14-7-4-3-5-8-14/h3-12H,1-2H3
  • InChiKey: HZWISPZEEHDUMF-UHFFFAOYSA-N  


Substructure search Similarity search

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
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
Trichomonas vaginalis conserved hypothetical 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 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
Entamoeba histolytica 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
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 falciparum 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
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 braziliensis 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
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 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
Giardia lamblia Macrophage migration inhibitory factor 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
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0096 0.2715 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0143 0.431 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0502 0.004
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0741 0.5
Schistosoma mansoni jumonji domain containing protein 0.0076 0.2053 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0143 0.431 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0502 0.2445
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0019 0.0137 0.008
Brugia malayi jmjC domain containing protein 0.0096 0.2715 0.2629
Loa Loa (eye worm) hypothetical protein 0.0025 0.0347 0.0233
Loa Loa (eye worm) jmjC domain-containing protein 0.0035 0.0685 0.0575
Onchocerca volvulus Tyrosine kinase homolog 0.0292 0.9313 1
Brugia malayi Inositol-1 0.0037 0.0741 0.0632
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0018 0.0117 0.0568
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.6371 0.6539
Echinococcus granulosus PHD finger protein rhinoceros 0.0029 0.0479 0.1393
Loa Loa (eye worm) inositol-1 0.0037 0.0741 0.0632
Loa Loa (eye worm) hypothetical protein 0.0019 0.0137 0.0021
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0502 0.1483
Echinococcus multilocularis neuroglian 0.0024 0.0301 0.0711
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0502 0.2445
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0294 0.9351 1
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0019 0.0137 0.067
Giardia lamblia Fructose-bisphosphate aldolase 0.0294 0.9351 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.6513 0.6472
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.9351 1
Plasmodium vivax SET domain protein, putative 0.003 0.0502 0.004
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.9351 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.9351 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0502 0.1483
Brugia malayi Immunoglobulin I-set domain containing protein 0.0027 0.0385 0.0272
Brugia malayi jmjC domain containing protein 0.0035 0.0685 0.0575
Trichomonas vaginalis set domain proteins, putative 0.0238 0.7483 0.783
Echinococcus granulosus Immunoglobulin 0.0019 0.0137 0.008
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0502 0.2445
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0741 0.5
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.6371 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.9351 1
Schistosoma mansoni cell adhesion molecule 0.0018 0.0117 0.0568
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.9351 1
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0205 0.6371 1
Brugia malayi Pre-SET motif family protein 0.003 0.0502 0.039
Loa Loa (eye worm) hypothetical protein 0.003 0.0502 0.039
Brugia malayi Bm-MIF-1, identical 0.0205 0.6371 0.6328
Echinococcus multilocularis Immunoglobulin 0.0019 0.0137 0.008
Loa Loa (eye worm) hypothetical protein 0.005 0.1181 0.1077
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0294 0.9351 1
Brugia malayi Pre-SET motif family protein 0.0209 0.6513 0.6472
Loa Loa (eye worm) hypothetical protein 0.0027 0.0385 0.0272
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0685 0.3338
Echinococcus multilocularis peregrin 0.0029 0.0479 0.1393
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0096 0.2715 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0143 0.431 1
Loa Loa (eye worm) PHD-finger family protein 0.0029 0.0479 0.0366
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0205 0.6371 0.6328
Brugia malayi hypothetical protein 0.0027 0.0385 0.0272
Echinococcus multilocularis roundabout 2 0.0038 0.0759 0.247
Loa Loa (eye worm) hypothetical protein 0.0029 0.0479 0.0366
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0502 0.1483
Loa Loa (eye worm) hypothetical protein 0.0019 0.0137 0.0021
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0465 0.1341
Schistosoma mansoni vesicular amine transporter 0.0019 0.0137 0.067
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.6371 1
Echinococcus granulosus peregrin 0.0029 0.0479 0.1393
Plasmodium falciparum macrophage migration inhibitory factor 0.0205 0.6371 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0029 0.0479 0.1393
Echinococcus multilocularis jumonji domain containing protein 0.0041 0.0864 0.2874
Echinococcus granulosus defective proboscis extension response 0.0019 0.0137 0.008
Echinococcus multilocularis Immunoglobulin 0.0019 0.0137 0.008
Onchocerca volvulus 0.0284 0.9018 0.9666
Giardia lamblia Macrophage migration inhibitory factor 0.0205 0.6371 0.6641
Schistosoma mansoni neuroglian 0.0018 0.0117 0.0568
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0502 0.2445
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.1525 0.1425
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0029 0.0479 0.2331
Echinococcus granulosus roundabout 2 0.0038 0.0759 0.247
Echinococcus granulosus lysine specific demethylase 5A 0.0035 0.0685 0.2189
Schistosoma mansoni cell adhesion molecule 0.0018 0.0117 0.0568
Schistosoma mansoni hypothetical protein 0.0029 0.0479 0.2331
Loa Loa (eye worm) hypothetical protein 0.0019 0.0137 0.0021
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.2429 0.2339
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0741 0.2402
Brugia malayi Fibronectin type III domain containing protein 0.0027 0.0385 0.0272
Treponema pallidum fructose-bisphosphate aldolase 0.0294 0.9351 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0025 0.0347 0.0885
Echinococcus granulosus neuroglian 0.0024 0.0301 0.0711
Echinococcus granulosus jumonji domain containing protein 0.0041 0.0864 0.2874
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0205 0.6371 0.6539
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0205 0.6371 0.6539
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0019 0.0137 0.067
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0741 0.5
Schistosoma mansoni nephrin 0.0018 0.0117 0.0568
Loa Loa (eye worm) hypothetical protein 0.0027 0.0385 0.0272
Echinococcus multilocularis lysine specific demethylase 5A 0.0035 0.0685 0.2189
Loa Loa (eye worm) hypothetical protein 0.003 0.0511 0.0399
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0313 1 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0511 0.0399
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0741 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0741 0.0445
Schistosoma mansoni jumonji/arid domain-containing protein 0.0035 0.0685 0.3338
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0087 0.2429 0.2339
Brugia malayi PHD-finger family protein 0.0029 0.0479 0.0366
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.9351 1
Onchocerca volvulus 0.0238 0.7483 0.7929
Schistosoma mansoni nephrin 0.0031 0.0549 0.2675
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.9351 1
Echinococcus granulosus twitchin 0.0024 0.0301 0.0711
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0205 0.6371 1
Onchocerca volvulus 0.003 0.0502 0.0027
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0294 0.9351 1
Schistosoma mansoni inositol monophosphatase 0.0037 0.0741 0.3608
Schistosoma mansoni cell adhesion molecule 0.0033 0.0595 0.2896
Brugia malayi Bromodomain containing protein 0.0029 0.0479 0.0366
Schistosoma mansoni inositol monophosphatase 0.0037 0.0741 0.3608
Loa Loa (eye worm) hypothetical protein 0.0027 0.0385 0.0272
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0741 0.2402

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 5.5 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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