TDR Targets

Basic information

Technical information

TDR Targets ID: 1756805
Name: 4-[(5Z)-5-[[5-(2,5-dichlorophenyl)furan-2-yl] methylidene]-4-oxo-2-sulfanylidene-1,3-thiazo lidin-3-yl]butanoic acid
MW: 442.336 | Formula: C18H13Cl2NO4S2
H donors: 1 H acceptors: 3 LogP: 4.85 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)CCCN1C(=O)/C(=C/c2ccc(o2)c2cc(Cl)ccc2Cl)/SC1=S
InChi: 1S/C18H13Cl2NO4S2/c19-10-3-5-13(20)12(8-10)14-6-4-11(25-14)9-15-17(24)21(18(26)27-15)7-1-2-16(22)23/h3-6,8-9H,1-2,7H2,(H,22,23)/b15-9-
InChiKey: YGLUYWUCUITNSZ-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

4-[(5Z)-5-[[5-(2,5-dichlorophenyl)-2-furyl]methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]butanoic acid
4-[(5Z)-5-[[5-(2,5-dichlorophenyl)-2-furyl]methylene]-4-oxo-2-thioxo-3-thiazolidinyl]butanoic acid
4-[(5Z)-5-[[5-(2,5-dichlorophenyl)-2-furyl]methylene]-4-keto-2-thioxo-thiazolidin-3-yl]butyric acid
ST5062539

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
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
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
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
Schistosoma japonicum	IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing	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 mansoni	protein kinase	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
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, 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
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
Brugia malayi	Neuronal symmetry protein 1	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	guanine nucleotide exchange factor VAV2	0.0132	0.2491	0.2491
Echinococcus granulosus	tyrosine protein kinase Blk	0.0225	0.8419	0.8419
Schistosoma mansoni	tyrosine kinase	0.0225	0.8419	0.8419
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0132	0.2491	0.2491
Echinococcus granulosus	SH2 motif	0.0132	0.2491	0.2491
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0225	0.8419	0.8419
Brugia malayi	Protein kinase domain containing protein	0.0225	0.8419	0.7894
Echinococcus multilocularis	SH2 motif	0.0132	0.2491	0.2491
Echinococcus multilocularis	SH2 motif	0.0132	0.2491	0.2491
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0225	0.8419	0.8419
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0225	0.8419	0.8419
Loa Loa (eye worm)	TK/FER protein kinase	0.0225	0.8419	0.7919
Echinococcus granulosus	tyrosine kinase	0.0225	0.8419	0.8419
Echinococcus granulosus	NCK adaptor protein	0.0132	0.2491	0.2491
Echinococcus multilocularis		0.0132	0.2491	0.2491
Onchocerca volvulus		0.0225	0.8419	1
Echinococcus multilocularis	NCK adaptor protein	0.0132	0.2491	0.2491
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0225	0.8419	0.8419
Loa Loa (eye worm)	hypothetical protein	0.0249	0.9976	1
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0225	0.8419	1
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0225	0.8419	0.8419
Schistosoma mansoni	protein kinase	0.0249	1	1
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0225	0.8419	0.8419
Echinococcus multilocularis	SH2 domain containing protein 7	0.0132	0.2491	0.2491
Loa Loa (eye worm)	TK/FER protein kinase	0.0225	0.8419	0.7919
Loa Loa (eye worm)	TK/FER protein kinase	0.0225	0.8419	0.7919
Echinococcus multilocularis	signal transduction protein lnk realted	0.0132	0.2491	0.2491
Brugia malayi	SRC-1	0.0225	0.8419	0.7894
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0093	0	0.5
Schistosoma mansoni	growth factor receptor-bound protein	0.0132	0.2491	0.2491
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0249	1	1
Onchocerca volvulus		0.0225	0.8419	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0225	0.8419	0.8419
Schistosoma mansoni	protein kinase	0.0249	1	1
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0225	0.8419	0.8419
Schistosoma mansoni	vav2	0.0132	0.2491	0.2491
Echinococcus multilocularis	c src tyrosine kinase	0.0225	0.8419	0.8419
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0132	0.2491	0.2491
Entamoeba histolytica	protein kinase, putative	0.0132	0.2515	0.2987
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0132	0.2491	0.2491
Schistosoma mansoni	hypothetical protein	0.0132	0.2491	0.2491
Schistosoma mansoni	tyrosine kinase	0.0225	0.8419	0.8419
Brugia malayi	Protein kinase domain containing protein	0.0225	0.8419	0.7894
Loa Loa (eye worm)	hypothetical protein	0.0225	0.8419	0.7919
Schistosoma mansoni	tensin	0.0132	0.2491	0.2491
Schistosoma mansoni	growth factor receptor-bound protein	0.0132	0.2491	0.2491
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0132	0.2491	0.2491
Loa Loa (eye worm)	TK/FER protein kinase	0.0225	0.8419	0.7919
Schistosoma mansoni	suppressor of cytokine signaling	0.0132	0.2491	0.2491
Schistosoma mansoni	tensin	0.0132	0.2491	0.2491
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0225	0.8419	0.8419
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0132	0.2491	0.2491
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0225	0.8443	0.8443
Loa Loa (eye worm)	TK/FER protein kinase	0.0225	0.8419	0.7919
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0225	0.8419	0.8419
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0093	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0225	0.8419	0.8419
Brugia malayi	hypothetical protein	0.0225	0.8419	0.7894
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0225	0.8419	0.8419
Onchocerca volvulus		0.0225	0.8419	1
Echinococcus granulosus	SH2 domain containing protein 7	0.0132	0.2491	0.2491
Loa Loa (eye worm)	TK/ABL protein kinase	0.0225	0.8419	0.7919
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0225	0.8419	0.8419
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0225	0.8419	0.8419
Echinococcus granulosus	tyrosine kinase	0.0225	0.8419	0.8419
Brugia malayi	protein-tyrosine kinase	0.0225	0.8419	0.7894
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.0249	1	1
Brugia malayi	SH2 domain containing protein	0.0225	0.8419	0.7894
Echinococcus granulosus	signal transduction protein lnk realted	0.0132	0.2491	0.2491
Toxoplasma gondii	calcium dependent protein kinase CDPK8	0.0093	0	0.5
Onchocerca volvulus		0.0225	0.8419	1
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0132	0.2515	0.2987
Echinococcus granulosus	tensin	0.0132	0.2491	0.2491
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0225	0.8419	0.8419
Onchocerca volvulus		0.0225	0.8419	1
Onchocerca volvulus		0.0225	0.8419	1
Brugia malayi	Protein kinase domain containing protein	0.0225	0.8419	0.7894
Schistosoma mansoni	suppressor of cytokine signaling	0.0132	0.2491	0.2491
Loa Loa (eye worm)	TK/FER protein kinase	0.0225	0.8419	0.7919
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0132	0.2491	0.2491
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0132	0.2491	0.2491
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0225	0.8419	0.8419
Echinococcus granulosus	tyrosine protein kinase Srms	0.0225	0.8419	0.8419
Echinococcus multilocularis	SHC transforming protein 3	0.0132	0.2491	0.2491
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0225	0.8419	0.8419
Schistosoma mansoni	tyrosine kinase	0.0225	0.8419	0.8419
Brugia malayi	Protein kinase domain containing protein	0.0225	0.8419	0.7894
Echinococcus granulosus	growth factor receptor bound protein 2	0.0132	0.2491	0.2491
Schistosoma mansoni	tensin-related	0.0132	0.2491	0.2491
Trypanosoma brucei	protein kinase, putative	0.0093	0	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0225	0.8419	0.7919
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0132	0.2491	0.2491
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0132	0.2491	0.2491
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0225	0.8419	0.8419
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0225	0.8419	0.8419
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0132	0.2491	0.2491
Trypanosoma brucei	STE/STE11 serine/threonine-protein kinase, putative	0.0093	0	0.5
Schistosoma mansoni	tyrosine kinase	0.0225	0.8419	0.8419
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0132	0.2491	0.2491
Loa Loa (eye worm)	SRC-1	0.0225	0.8419	0.7919
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0132	0.2491	0.2491
Schistosoma mansoni	tyrosine kinase	0.0225	0.8419	0.8419
Schistosoma mansoni	signal transduction protein lnk-related	0.0132	0.2491	0.2491
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0132	0.2491	0.2491
Echinococcus granulosus	hypothetical protein	0.0132	0.2491	0.2491
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0132	0.2491	0.2491
Brugia malayi	SH2 domain containing protein	0.0225	0.8419	0.7894
Echinococcus granulosus	tyrosine protein kinase shark	0.0225	0.8419	0.8419
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0132	0.2491	0.2491
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0225	0.8419	0.8419
Loa Loa (eye worm)	TK/FER protein kinase	0.0225	0.8419	0.7919
Schistosoma mansoni	adapter molecule crk	0.0132	0.2491	0.2491
Echinococcus multilocularis	tyrosine protein kinase shark	0.0225	0.8419	0.8419
Schistosoma mansoni	tensin-related	0.0132	0.2491	0.2491
Echinococcus multilocularis	tyrosine kinase	0.0225	0.8419	0.8419
Entamoeba histolytica	SH2 domain containing protein	0.0132	0.2491	0.2959
Echinococcus granulosus	expressed conserved protein	0.0132	0.2491	0.2491
Echinococcus multilocularis	tensin	0.0132	0.2491	0.2491
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0225	0.8419	0.8419
Echinococcus multilocularis	N chimaerin	0.0132	0.2491	0.2491
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0225	0.8419	0.8419
Loa Loa (eye worm)	TK protein kinase	0.0225	0.8419	0.7919
Schistosoma mansoni	shc transforming protein	0.0132	0.2491	0.2491
Brugia malayi	Tyrosine-protein kinase abl-1	0.0225	0.8419	0.7894
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0132	0.2491	0.2491
Echinococcus multilocularis	tensin	0.0132	0.2491	0.2491
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0225	0.8419	0.8419
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0225	0.8419	0.8419
Schistosoma mansoni	GTPase activating protein	0.0132	0.2491	0.2491
Echinococcus granulosus	N chimaerin	0.0132	0.2491	0.2491
Schistosoma mansoni	tyrosine kinase	0.0225	0.8419	0.8419
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0132	0.2491	0.2491
Brugia malayi	Protein kinase domain containing protein	0.0225	0.8419	0.7894
Schistosoma mansoni	tensin	0.0132	0.2491	0.2491
Plasmodium falciparum	protein kinase, putative	0.0093	0	0.5
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0132	0.2491	0.2491
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0225	0.8419	0.8419
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0132	0.2491	0.2491
Schistosoma mansoni	nck2/grb4	0.0132	0.2491	0.2491
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0225	0.8419	0.8419
Loa Loa (eye worm)	TK/FER protein kinase	0.0225	0.8419	0.7919
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0132	0.2491	0.2491
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0225	0.8419	0.8419
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0132	0.2491	0.2491
Echinococcus granulosus	SHC transforming protein 3	0.0132	0.2491	0.2491
Loa Loa (eye worm)	TK/FER protein kinase	0.0225	0.8419	0.7919
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0132	0.2491	0.2491
Echinococcus granulosus	SH2 motif	0.0132	0.2491	0.2491
Leishmania major	protein kinase, putative	0.0093	0	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0132	0.2491	0.2491
Schistosoma mansoni	hypothetical protein	0.0132	0.2491	0.2491
Echinococcus granulosus	c src tyrosine kinase	0.0225	0.8419	0.8419
Echinococcus multilocularis	SH2 motif	0.0132	0.2491	0.2491
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0225	0.8419	0.8419
Schistosoma mansoni	SH2A	0.0132	0.2491	0.2491

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.35 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: CHEMBL2348837

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 1756805