TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 288.3 | Formula: C18H12N2O2
H donors: 1 H acceptors: 3 LogP: 3.41 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N#Cc1cccc(c1)Oc1ccc(nc1)c1cccc(c1)O
InChi: 1S/C18H12N2O2/c19-11-13-3-1-6-16(9-13)22-17-7-8-18(20-12-17)14-4-2-5-15(21)10-14/h1-10,12,21H
InChiKey: VUWYQPZMKVVUEX-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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 yoelii	hypothetical 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 mexicana	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 major	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
Loa Loa (eye worm)	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
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 vivax	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
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
Giardia lamblia	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
Neospora caninum	Macrophage migration inhibitory factor, related	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
Toxoplasma gondii	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
Plasmodium knowlesi	macrophage migration inhibitory factor, putative	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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	hypothetical protein	0.0045	0.0889	0.0828
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0045	0.0889	0.2668
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.003	0.0286	0.0378
Loa Loa (eye worm)	hypothetical protein	0.0034	0.043	0.0568
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0087	0.2669	0.3528
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.043	0.0568
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0054	0.126	0.1338
Schistosoma mansoni	fkbp-rapamycin associated protein	0.003	0.0286	0.0858
Leishmania major	macrophage migration inhibitory factor-like protein	0.0205	0.7565	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Leishmania major	macrophage migration inhibitory factor-like protein	0.0205	0.7565	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0054	0.126	0.1665
Trypanosoma cruzi	hypothetical protein, conserved	0.009	0.2764	0.8269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0889	0.1175
Loa Loa (eye worm)	hypothetical protein	0.003	0.0286	0.0378
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0054	0.126	0.6526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0054	0.126	0.16
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0041	0.0728	0.0962
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0045	0.0889	0.2537
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0054	0.126	0.3671
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0054	0.126	0.6526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0103	0.3331	0.3331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0286	0.0378
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0286	0.0378
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Trichomonas vaginalis	conserved hypothetical protein	0.0205	0.7565	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0103	0.3331	0.4402
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.003	0.0286	0.0286
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0286	0.0378
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Plasmodium falciparum	macrophage migration inhibitory factor	0.0205	0.7565	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0103	0.3331	1
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0054	0.126	0.1338
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0054	0.126	0.1163
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0103	0.3331	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0054	0.126	0.126
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0054	0.126	0.6526
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0054	0.126	0.16
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.043	0.0568
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0103	0.3331	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0286	0.0378
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0054	0.126	0.3671
Loa Loa (eye worm)	phosphatidylinositol 3	0.0054	0.126	0.1665
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.003	0.0286	0.0286
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Leishmania major	hypothetical protein, conserved	0.01	0.3194	0.4177
Plasmodium vivax	macrophage migration inhibitory factor, putative	0.0205	0.7565	0.5
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0045	0.0889	0.3608
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0054	0.126	0.16
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0064	0.1702	0.2189
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0286	0.0378
Trichomonas vaginalis	macrophage migration inhibitory factor, mif, putative	0.0205	0.7565	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0054	0.126	0.126
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0064	0.1702	0.2249
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0034	0.0459	0.1223
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0064	0.1702	1
Toxoplasma gondii	macrophage migration inhibitory factor, putative	0.0205	0.7565	1
Brugia malayi	Bm-MIF-1, identical	0.0205	0.7565	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Entamoeba histolytica	macrophage migration inhibitory factor-like protein	0.0205	0.7565	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.003	0.0286	0.0695
Echinococcus multilocularis	serine protein kinase ATM	0.0045	0.0889	0.0889
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0054	0.126	0.16
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0087	0.2669	0.3528
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0103	0.3331	0.3331
Toxoplasma gondii	FATC domain-containing protein	0.0045	0.0889	0.0643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0459	0.0607
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0286	0.0378
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Trypanosoma cruzi	target of rapamycin kinase 3	0.0054	0.126	0.3671
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0054	0.126	0.6526
Echinococcus granulosus	serine protein kinase ATM	0.0045	0.0889	0.0889
Giardia lamblia	Macrophage migration inhibitory factor	0.0205	0.7565	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0064	0.1702	0.2249
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0054	0.126	0.3783
Loa Loa (eye worm)	macrophage migration inhibitory factor	0.0205	0.7565	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0889	0.1175
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0041	0.0728	0.0607
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0054	0.126	0.1665

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.37 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

ChEMBL: CHEMBL2178843

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.

Detailed information for compound 1723149