Detailed information for compound 1050859

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 386.443 | Formula: C24H22N2O3
  • H donors: 1 H acceptors: 0 LogP: 4.95 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=N)c1ccc2c(c1)oc(c2)c1cccc(c1)OCCCOc1ccccc1
  • InChi: 1S/C24H22N2O3/c25-24(26)19-11-10-18-15-22(29-23(18)16-19)17-6-4-9-21(14-17)28-13-5-12-27-20-7-2-1-3-8-20/h1-4,6-11,14-16H,5,12-13H2,(H3,25,26)
  • InChiKey: JFQPYEJJUBMLPN-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Plasmodium falciparum macrophage migration inhibitory factor 0.0938219 0.5 0.5
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0938219 0.5 0.5
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0938219 0.5 0.5
Giardia lamblia Macrophage migration inhibitory factor 0.0938219 0.5 0.5
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0938219 0.5 0.5
Leishmania major macrophage migration inhibitory factor-like protein 0.0938219 0.5 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0938219 0.5 0.5
Leishmania major macrophage migration inhibitory factor-like protein 0.0938219 0.5 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0938219 0.5 0.5
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0938219 0.5 0.5
Brugia malayi Bm-MIF-1, identical 0.0938219 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.084 uM Antiplasmodial activity after 48 hrs against chloroquine-resistant Plasmodium falciparum K1 by [3H]hypoxanthine uptake ChEMBL. 19757840
IC50 (functional) = 0.327 uM Antitrypanosomal activity against blood stream form of Trypanosoma brucei rhodesiense STIB900 trypomastigotes after 70 hrs by alamar blue assay ChEMBL. 19757840
IC50 (functional) = 11 uM Antileishmanial activity against Leishmania donovani MHOM/SD/62/1S-CL2D axenic amastigotes after 72 hrs by tetrazolium dye-based microplate reader method ChEMBL. 19757840

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 19757840
Leishmania donovani ChEMBL23 19757840
Trypanosoma brucei gambiense 19757840

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

No literature references available for this target.

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