Detailed information for compound 998413

Basic information

Technical information
  • TDR Targets ID: 998413
  • Name: 1-benzofuran-2-yl-(2,3-dihydroindol-1-yl)meth anone
  • MW: 263.291 | Formula: C17H13NO2
  • H donors: 0 H acceptors: 1 LogP: 3.71 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCc2c1cccc2)c1cc2c(o1)cccc2
  • InChi: 1S/C17H13NO2/c19-17(16-11-13-6-2-4-8-15(13)20-16)18-10-9-12-5-1-3-7-14(12)18/h1-8,11H,9-10H2
  • InChiKey: NWLAYUVGWMPNSG-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • benzofuran-2-yl-indolin-1-yl-methanone
  • 2-benzofuranyl-(1-indolinyl)methanone
  • Oprea1_781741
  • ZINC00272979

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens CD74 molecule, major histocompatibility complex, class II invariant chain References
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
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 falciparum 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 berghei 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
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

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
Trichomonas vaginalis conserved hypothetical protein 0.0205 0.5 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0205 0.5 0.5
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.5 0.5
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0205 0.5 0.5
Plasmodium falciparum macrophage migration inhibitory factor 0.0205 0.5 0.5
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0205 0.5 0.5
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0205 0.5 0.5
Giardia lamblia Macrophage migration inhibitory factor 0.0205 0.5 0.5
Leishmania major macrophage migration inhibitory factor-like protein 0.0205 0.5 0.5
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0205 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 3 uM Inhibition of human recombinant MIF tautomerase ChEMBL. 19090668
IC50 (binding) = 4 uM Inhibition of human MIF-CD74 binding ChEMBL. 19090668

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.