TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 340.623 | Formula: C13H7BrClNOS
H donors: 0 H acceptors: 1 LogP: 4.33 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)n1sc2c(c1=O)ccc(c2)Br
InChi: 1S/C13H7BrClNOS/c14-8-1-6-11-12(7-8)18-16(13(11)17)10-4-2-9(15)3-5-10/h1-7H
InChiKey: PVDFKVXJLZVPMZ-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
Plasmodium berghei	macrophage migration inhibitory factor	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 vivax	macrophage migration inhibitory factor, putative	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
Leishmania donovani	macrophage migration inhibitory factor-like 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
Giardia lamblia	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
Trichomonas vaginalis	macrophage migration inhibitory factor, mif, putative	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
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
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
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
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
Leishmania infantum	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
Loa Loa (eye worm)	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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0043	0.115	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0043	0.115	0.0814
Trypanosoma cruzi	cysteine peptidase, putative	0.0043	0.115	1
Onchocerca volvulus	Cathepsin L homolog	0.0043	0.115	1
Plasmodium vivax	vivapain-2	0.0043	0.115	0.115
Brugia malayi	Cathepsin L-like precursor	0.0029	0.0366	0.0366
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Brugia malayi	Papain family cysteine protease containing protein	0.0043	0.115	0.115
Trypanosoma cruzi	cysteine peptidase, putative	0.0043	0.115	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0043	0.115	1
Onchocerca volvulus		0.0043	0.115	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0043	0.115	0.115
Plasmodium vivax	macrophage migration inhibitory factor, putative	0.0205	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0029	0.0366	0.0366
Onchocerca volvulus		0.0043	0.115	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0043	0.115	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0043	0.115	0.115
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0087	0.3566	0.3321
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.0366	0.0366
Onchocerca volvulus	Cathepsin F homolog	0.0043	0.115	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0043	0.115	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0029	0.0366	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0043	0.115	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0583	0.0583
Loa Loa (eye worm)	ctsf protein	0.0043	0.115	0.0814
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0043	0.115	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0029	0.0366	0.0366
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1418	0.1418
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0043	0.115	0.115
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0043	0.115	0.115
Onchocerca volvulus		0.0043	0.115	1
Leishmania major	macrophage migration inhibitory factor-like protein	0.0205	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0029	0.0366	0.0366
Echinococcus granulosus	cathepsin l1	0.0029	0.0366	0.3182
Entamoeba histolytica	macrophage migration inhibitory factor-like protein	0.0205	1	1
Onchocerca volvulus		0.0043	0.115	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Echinococcus multilocularis	cathepsin L cysteine protease	0.0043	0.115	1
Leishmania major	macrophage migration inhibitory factor-like protein	0.0205	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0043	0.115	1
Giardia lamblia	Macrophage migration inhibitory factor	0.0205	1	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0043	0.115	0.115
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0043	0.115	0.115
Trichomonas vaginalis	macrophage migration inhibitory factor, mif, putative	0.0205	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0043	0.115	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0043	0.115	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Echinococcus multilocularis	cysteine protease	0.0043	0.115	1
Echinococcus granulosus	cathepsin l1	0.0043	0.115	1
Onchocerca volvulus		0.0043	0.115	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0043	0.115	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0043	0.115	1
Onchocerca volvulus		0.0043	0.115	1
Entamoeba histolytica	cysteine proteinase, putative	0.0043	0.115	0.115
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Brugia malayi	Cathepsin L-like precursor	0.0029	0.0366	0.0366
Schistosoma mansoni	cathepsin F (C01 family)	0.0043	0.115	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0043	0.115	1
Brugia malayi	Cathepsin L-like precursor	0.0043	0.115	0.115
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0043	0.115	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0043	0.115	0.115
Schistosoma mansoni	cathepsin F (C01 family)	0.0043	0.115	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0043	0.115	1
Brugia malayi	Cathepsin L-like precursor	0.0043	0.115	0.115
Onchocerca volvulus		0.0043	0.115	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0043	0.115	0.115
Entamoeba histolytica	cysteine proteinase, putative	0.0043	0.115	0.115
Echinococcus multilocularis	cathepsin L cysteine protease	0.0043	0.115	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0043	0.115	0.115
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0043	0.115	0.115
Onchocerca volvulus	Cathepsin L homolog	0.0043	0.115	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0043	0.115	1
Brugia malayi	Cathepsin L-like precursor	0.0043	0.115	0.115
Loa Loa (eye worm)	fibroinase	0.0043	0.115	0.0814
Brugia malayi	Cathepsin L-like precursor	0.0043	0.115	0.115
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Plasmodium falciparum	macrophage migration inhibitory factor	0.0205	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0043	0.115	0.115
Loa Loa (eye worm)	hypothetical protein	0.0043	0.115	0.0814
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0029	0.0366	0.3182
Toxoplasma gondii	macrophage migration inhibitory factor, putative	0.0205	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0583	0.0225
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Trichomonas vaginalis	conserved hypothetical protein	0.0205	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0043	0.115	0.115
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0043	0.115	0.115
Trypanosoma cruzi	cysteine peptidase, putative	0.0043	0.115	1
Brugia malayi	Cathepsin L-like precursor	0.0043	0.115	0.115
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Loa Loa (eye worm)	macrophage migration inhibitory factor	0.0205	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1418	0.1092
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Entamoeba histolytica	cysteine protease, putative	0.0043	0.115	0.115
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1418	0.1418
Schistosoma mansoni	hypothetical protein	0.0033	0.0583	0.5071
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0043	0.115	0.0814
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0043	0.115	0.115
Plasmodium vivax	vivapain-2	0.0043	0.115	0.115
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1418	0.1092
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0043	0.115	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0043	0.115	0.115
Brugia malayi	cathepsin L-like precursor	0.0029	0.0366	0.0366
Loa Loa (eye worm)	cysteine protease	0.0043	0.115	0.0814
Trypanosoma cruzi	cysteine peptidase, putative	0.0043	0.115	1
Loa Loa (eye worm)	macrophage migration inhibitory factor 2	0.0087	0.3566	0.3321
Echinococcus multilocularis	cysteine protease	0.0043	0.115	1
Brugia malayi	Cathepsin L-like precursor	0.0043	0.115	0.115

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 11 uM	Inhibition of human recombinant MIF tautomerase activity using 4-hydroxyphenylpyruvate as substrate	ChEMBL.	21719283

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: CHEMBL1807936

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 1022403