TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 389.381 | Formula: C21H11NO5S
H donors: 1 H acceptors: 4 LogP: 3.92 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc2c(c1)oc(=O)c(c2)c1scc(n1)c1cc2ccccc2oc1=O
InChi: 1S/C21H11NO5S/c23-13-6-5-12-8-15(21(25)27-18(12)9-13)19-22-16(10-28-19)14-7-11-3-1-2-4-17(11)26-20(14)24/h1-10,23H
InChiKey: NKEQLZRKLSZCPR-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
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
Leishmania braziliensis	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
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
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
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 donovani	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
Leishmania mexicana	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
Plasmodium knowlesi	macrophage migration inhibitory factor, 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
Trichomonas vaginalis	conserved hypothetical 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
Leishmania mexicana	macrophage migration inhibitory factor-like protein	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 yoelii	hypothetical protein	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
Leishmania infantum	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

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
Loa Loa (eye worm)	hypothetical protein	0.0125	0.5894	0.589
Echinococcus multilocularis	enhancer of mRNA decapping protein 4	0.0123	0.5821	0.9876
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0125	0.5894	0.589
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.007	0.3069	0.5199
Brugia malayi	Variant SH3 domain containing protein	0.0015	0.0284	0.0274
Plasmodium falciparum	macrophage migration inhibitory factor	0.0205	1	1
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0017	0.0395	0.0654
Brugia malayi	protein-tyrosine kinase	0.007	0.3069	0.3062
Plasmodium vivax	macrophage migration inhibitory factor, putative	0.0205	1	1
Giardia lamblia	Macrophage migration inhibitory factor	0.0205	1	1
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0125	0.5894	1
Trichomonas vaginalis	conserved hypothetical protein	0.0205	1	1
Toxoplasma gondii	macrophage migration inhibitory factor, putative	0.0205	1	1
Onchocerca volvulus		0.001	0.001	0.5
Loa Loa (eye worm)	macrophage migration inhibitory factor	0.0205	1	1
Entamoeba histolytica	macrophage migration inhibitory factor-like protein	0.0205	1	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0077	0.3454	0.5853
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0078	0.3527	0.5978
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0125	0.5894	1
Loa Loa (eye worm)	SRC-1	0.0077	0.3454	0.3447
Schistosoma mansoni	growth factor receptor-bound protein	0.0015	0.0284	0.0482
Onchocerca volvulus		0.001	0.001	0.5
Leishmania major	macrophage migration inhibitory factor-like protein	0.0205	1	1
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0125	0.5894	1
Echinococcus multilocularis	tyrosine protein kinase Blk	0.007	0.3069	0.5199
Schistosoma mansoni	tyrosine kinase	0.0077	0.3454	0.586
Entamoeba histolytica	protein kinase, putative	0.0062	0.2674	0.2667
Echinococcus granulosus	growth factor receptor bound protein 2	0.0015	0.0284	0.0466
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0077	0.3454	0.5853
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0125	0.5894	0.5
Loa Loa (eye worm)	TK protein kinase	0.007	0.3069	0.3062
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0077	0.3454	0.5853
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0017	0.0395	0.067
Echinococcus multilocularis	NCK adaptor protein	0.0015	0.0284	0.0466
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0017	0.0395	0.0654
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0077	0.3454	0.5853
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0125	0.5894	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0077	0.3454	0.5853
Schistosoma mansoni	tyrosine kinase	0.0017	0.0395	0.067
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 3	0.0125	0.5894	0.5
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0015	0.0284	0.0466
Brugia malayi	Sex muscle abnormal protein 5	0.0015	0.0284	0.0274
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 1	0.0125	0.5894	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0077	0.3454	0.5853
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0017	0.0395	0.0654
Onchocerca volvulus		0.001	0.001	0.5
Trichomonas vaginalis	macrophage migration inhibitory factor, mif, putative	0.0205	1	1
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0087	0.3982	0.3976
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0077	0.3454	0.5853
Trypanosoma brucei	protein kinase A catalytic subunit, putative	0.0125	0.5894	0.5
Brugia malayi	cAMP-dependent protein kinase catalytic subunit, putative	0.0125	0.5894	0.589
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0067	0.2958	0.501
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0125	0.5894	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0284	0.0274
Echinococcus multilocularis	c src tyrosine kinase	0.0017	0.0395	0.0654
Onchocerca volvulus		0.001	0.001	0.5
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 1	0.0125	0.5894	0.5
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0125	0.5894	0.589
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0015	0.0284	0.0274
Brugia malayi	Tyrosine-protein kinase abl-1	0.0017	0.0395	0.0385
Schistosoma mansoni	tyrosine kinase	0.001	0.001	0.0017
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0062	0.2674	0.4528
Echinococcus multilocularis	tyrosine protein kinase Srms	0.007	0.3069	0.5199
Onchocerca volvulus		0.001	0.001	0.5
Echinococcus granulosus	tyrosine protein kinase HCK	0.0062	0.2674	0.4528
Onchocerca volvulus		0.001	0.001	0.5
Brugia malayi	SRC-1	0.0077	0.3454	0.3447
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0077	0.3454	0.5853
Schistosoma mansoni	serine/threonine protein kinase	0.0125	0.5894	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0077	0.3454	0.5853
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0077	0.3454	0.5853
Schistosoma mansoni	tyrosine kinase	0.0017	0.0395	0.067
Echinococcus granulosus	c src tyrosine kinase	0.0017	0.0395	0.0654
Echinococcus granulosus	NCK adaptor protein	0.0015	0.0284	0.0466
Trypanosoma cruzi	cAMP-dependent protein kinase catalytic subunit 2	0.0125	0.5894	0.5
Schistosoma mansoni	nck2/grb4	0.0015	0.0284	0.0482
Schistosoma mansoni	serine/threonine protein kinase	0.0125	0.5894	1
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0125	0.5894	1
Schistosoma mansoni	tyrosine kinase	0.0077	0.3454	0.586
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0077	0.3454	0.5853
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0077	0.3454	0.5853
Echinococcus granulosus	tyrosine protein kinase Blk	0.007	0.3069	0.5199
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0125	0.5894	0.589
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0125	0.5894	0.589
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0015	0.0284	0.0482
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0125	0.5894	1
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0015	0.0284	0.0274
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0087	0.3982	0.3976
Trypanosoma brucei	cAMP-dependent protein kinase catalytic subunit 2	0.0125	0.5894	0.5
Echinococcus granulosus	enhancer of mRNA decapping protein 4	0.0123	0.5821	0.9876
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0077	0.3454	0.5853
Loa Loa (eye worm)	TK protein kinase	0.0062	0.2674	0.2667
Leishmania major	macrophage migration inhibitory factor-like protein	0.0205	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0125	0.5894	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0067	0.2958	0.501
Schistosoma mansoni	adapter molecule crk	0.0015	0.0284	0.0482
Echinococcus granulosus	tyrosine kinase	0.007	0.3069	0.5199
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0077	0.3454	0.5853
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0077	0.3454	0.5853
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0077	0.3454	0.5853
Schistosoma mansoni	growth factor receptor-bound protein	0.0015	0.0284	0.0482
Brugia malayi	Variant SH3 domain containing protein	0.0015	0.0284	0.0274
Schistosoma mansoni	tyrosine kinase	0.001	0.001	0.0017
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.007	0.3069	0.5199

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 0.28 uM	Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)	ChEMBL.	11170644
Ki (binding)	= 0.28 uM	Inhibitory activity against tautomerase macrophage migration inhibitory factor (MIF)	ChEMBL.	11170644

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

No external resources registered 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.

Detailed information for compound 262413