TDR Targets

Basic information

Technical information

TDR Targets ID: 1753480
Name: 2-[5-[[5-(4-bromophenyl)furan-2-yl]methyliden e]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl ]butanoic acid
MW: 452.342 | Formula: C18H14BrNO4S2
H donors: 1 H acceptors: 3 LogP: 4.96 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCC(N1C(=S)S/C(=C\c2ccc(o2)c2ccc(cc2)Br)/C1=O)C(=O)O
InChi: 1S/C18H14BrNO4S2/c1-2-13(17(22)23)20-16(21)15(26-18(20)25)9-12-7-8-14(24-12)10-3-5-11(19)6-4-10/h3-9,13H,2H2,1H3,(H,22,23)/b15-9-
InChiKey: XCTMUWMKPHBVIO-DHDCSXOGSA-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

2-[5-[[5-(4-bromophenyl)-2-furyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid
2-[5-[[5-(4-bromophenyl)-2-furyl]methylene]-4-oxo-2-thioxo-3-thiazolidinyl]butanoic acid
2-[5-[[5-(4-bromophenyl)-2-furyl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	mitogen-activated protein kinase kinase kinase 5	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	protein kinase	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing	Get druggable targets OG5_130258	All targets in OG5_130258
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	Mitogen-activated protein kinase kinase kinase 15, putative	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	expressed protein	Get druggable targets OG5_130258	All targets in OG5_130258
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130258	All targets in OG5_130258
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	ko:K04426 mitogen-activated protein kinase kinase kinase 5, putative	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma mansoni	protein kinase	Get druggable targets OG5_130258	All targets in OG5_130258
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130258	All targets in OG5_130258
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	Get druggable targets OG5_130258	All targets in OG5_130258
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	Get druggable targets OG5_130258	All targets in OG5_130258
Brugia malayi	Neuronal symmetry protein 1	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing	Get druggable targets OG5_130258	All targets in OG5_130258
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	Mitogen-activated protein kinase kinase kinase 15, putative	Get druggable targets OG5_130258	All targets in OG5_130258
Schistosoma japonicum	IPR010993,Sterile alpha motif homology,domain-containing	Get druggable targets OG5_130258	All targets in OG5_130258

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
Echinococcus multilocularis	rho associated protein kinase	0.0151	0.0612	0.0332
Trichomonas vaginalis	conserved hypothetical protein	0.0182	0.0856	0.5
Echinococcus multilocularis	beta adrenergic receptor kinase	0.0187	0.0902	0.0685
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.1137	0.854	0.854
Onchocerca volvulus		0.0151	0.0612	1
Echinococcus granulosus	regulator of G protein signaling 7	0.0182	0.0856	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0856	0.0856
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0182	0.0856	0.0534
Trichomonas vaginalis	conserved hypothetical protein	0.0182	0.0856	0.5
Echinococcus granulosus	expressed protein	0.0182	0.0856	0.0629
Trichomonas vaginalis	conserved hypothetical protein	0.0182	0.0856	0.5
Echinococcus multilocularis	regulator of G protein signaling 3	0.0182	0.0856	0.0629
Echinococcus granulosus	Regulator of G protein signaling 20	0.0182	0.0856	0.0629
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.1137	0.854	1
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0856	0.0856
Echinococcus multilocularis	regulator of G protein signaling 3	0.0182	0.0856	0.0629
Brugia malayi	A-kinase anchor protein 10, precursor	0.0182	0.0856	0.0749
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0255	0.1445	0.1347
Brugia malayi	hypothetical protein	0.0182	0.0856	0.0749
Echinococcus granulosus	regulator of G protein signaling 3	0.0182	0.0856	0.0629
Brugia malayi	regulator of G-protein signaling rgs-7	0.0182	0.0856	0.0749
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0081	0.0046	0.5
Brugia malayi	Protein kinase domain containing protein	0.0459	0.3085	0.3004
Schistosoma mansoni	serine/threonine protein kinase	0.0187	0.0902	0.0581
Schistosoma mansoni	regulator of G protein signaling	0.0182	0.0856	0.0534
Trichomonas vaginalis	conserved hypothetical protein	0.0182	0.0856	0.5
Echinococcus multilocularis	regulator of G protein signaling	0.0182	0.0856	0.0629
Brugia malayi	PXA domain containing protein	0.0182	0.0856	0.0749
Echinococcus granulosus	axis inhibition protein axin	0.0182	0.0856	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0856	0.0856
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0182	0.0856	0.0749
Schistosoma mansoni	protein kinase	0.0255	0.1445	0.1143
Entamoeba histolytica	hypothetical protein	0.0182	0.0856	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0182	0.0856	0.5
Loa Loa (eye worm)	RGS-3 protein	0.0182	0.0856	0.0856
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0182	0.0856	0.0629
Trichomonas vaginalis	conserved hypothetical protein	0.0182	0.0856	0.5
Loa Loa (eye worm)	STE/STE11/ASK protein kinase	0.0081	0.0046	0.0046
Echinococcus multilocularis	regulator of G protein signaling 7	0.0182	0.0856	0.0629
Schistosoma mansoni	serine/threonine protein kinase	0.0187	0.0902	0.0581
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0182	0.0856	0.0534
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0255	0.1445	0.1347
Schistosoma mansoni	regulator of G protein signaling	0.0182	0.0856	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0856	0.0856
Brugia malayi	Neuronal symmetry protein 1	0.0255	0.1445	0.1344
Schistosoma mansoni	regulator of G protein signaling	0.0182	0.0856	0.0534
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.1319	1	1
Schistosoma mansoni	regulator of G protein signaling	0.0182	0.0856	0.0534
Schistosoma mansoni	axis inhibition protein axin	0.0182	0.0856	0.0534
Schistosoma mansoni	z-protein (S1r protein)	0.0182	0.0856	0.0534
Echinococcus granulosus	regulator of G protein signaling 3	0.0182	0.0856	0.0629
Echinococcus granulosus	axis inhibition protein axin	0.0182	0.0856	0.0629
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.1137	0.854	1
Echinococcus multilocularis	axis inhibition protein axin	0.0182	0.0856	0.0629
Entamoeba histolytica	hypothetical protein	0.0182	0.0856	0.5
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0182	0.0856	0.0629
Schistosoma mansoni	serine/threonine protein kinase	0.1319	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0151	0.0612	0.0282
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.1137	0.854	0.854
Entamoeba histolytica	hypothetical protein	0.0182	0.0856	0.5
Schistosoma mansoni	regulator of G protein signaling	0.0182	0.0856	0.0534
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0856	0.0856
Loa Loa (eye worm)	PXA domain-containing protein	0.0182	0.0856	0.0856
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0117	0.034	0.034
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.1137	0.854	0.8522
Leishmania major	rac serine-threonine kinase, putative,protein kinase, putative	0.009	0.0116	0.5
Echinococcus multilocularis	regulator of G protein signaling 7	0.0182	0.0856	0.0629
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0182	0.0856	0.0534
Schistosoma mansoni	protein kinase	0.0255	0.1445	0.1143
Brugia malayi	PXA domain containing protein	0.0182	0.0856	0.0749
Giardia lamblia	Kinase, AGC AKT	0.009	0.0116	0.5
Echinococcus granulosus	beta-adrenergic receptor kinase	0.0187	0.0902	0.0685
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.0187	0.0902	0.0902
Brugia malayi	regulator of G-protein signaling egl-10	0.0182	0.0856	0.0749
Schistosoma mansoni	axis inhibition protein axin	0.0182	0.0856	0.0534
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0182	0.0856	0.0749
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0182	0.0856	0.5
Loa Loa (eye worm)	hypothetical protein	0.0249	0.1399	0.1399
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0182	0.0856	0.0856
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0856	0.0856
Echinococcus granulosus	regulator of G protein signaling 7	0.0182	0.0856	0.0629
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0081	0.0046	0.5
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.0459	0.3085	0.3085
Echinococcus multilocularis	expressed protein	0.0182	0.0856	0.0629
Brugia malayi	hypothetical protein	0.0182	0.0856	0.0749
Echinococcus granulosus	rho-associated protein kinase 1	0.0151	0.0612	0.0332
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0182	0.0856	0.0629
Echinococcus multilocularis	axis inhibition protein axin	0.0182	0.0856	0.0629

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.5 uM	Inhibition of human ASK1 using MBP as substrate incubated for 10 mins prior to ATP addition measured after 20 mins by liquid scintillation counting analysis	ChEMBL.	23041041

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: CHEMBL2349207

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 1753480