TDR Targets

Basic information

Technical information

TDR Targets ID: 1582336
Name: ethyl (2E)-2-[3-[2-[(3-fluorophenyl)amino]-2- oxoethyl]-4-oxo-1,3-thiazolidin-2-ylidene]ace tate
MW: 338.354 | Formula: C15H15FN2O4S
H donors: 1 H acceptors: 3 LogP: 1.61 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)/C=C\1/SCC(=O)N1CC(=O)Nc1cccc(c1)F
InChi: 1S/C15H15FN2O4S/c1-2-22-15(21)7-14-18(13(20)9-23-14)8-12(19)17-11-5-3-4-10(16)6-11/h3-7H,2,8-9H2,1H3,(H,17,19)/b14-7+
InChiKey: RDUWJGPIUSVVRO-VGOFMYFVSA-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

ethyl (2E)-2-[3-[2-[(3-fluorophenyl)amino]-2-oxo-ethyl]-4-oxo-thiazolidin-2-ylidene]acetate
(2E)-2-[3-[2-[(3-fluorophenyl)amino]-2-oxoethyl]-4-oxo-2-thiazolidinylidene]acetic acid ethyl ester
(2E)-2-[3-[2-[(3-fluorophenyl)amino]-2-keto-ethyl]-4-keto-thiazolidin-2-ylidene]acetic acid ethyl ester
ethyl (2E)-2-[3-[2-[(3-fluorophenyl)amino]-2-oxo-ethyl]-4-oxo-1,3-thiazolidin-2-ylidene]ethanoate
ZINC03319719

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.0009	0.0126	0.0083
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0375	0.0333
Loa Loa (eye worm)	hypothetical protein	0.004	0.095	0.0946
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0059	0.1446	0.1442
Schistosoma mansoni	DNA helicase recq1	0.0009	0.0126	0.0121
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0089	0.0472
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.015	0.0108
Loa Loa (eye worm)	histone methyltransferase	0.0012	0.0207	0.0202
Brugia malayi	SET domain containing protein	0.01	0.2542	0.251
Treponema pallidum	nicotinate phosphoribosyltransferase	0.007	0.1756	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0015	0.0279	0.1535
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.017	0.4435	0.4411
Brugia malayi	F/Y-rich N-terminus family protein	0.0012	0.0203	0.0161
Schistosoma mansoni	hypothetical protein	0.0019	0.0375	0.037
Echinococcus granulosus	cpg binding protein	0.0037	0.086	0.082
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0375	0.0333
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.0009	0.0126	0.0083
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0165	0.4308	0.4283
Trichomonas vaginalis	helicase, putative	0.0008	0.0089	0.0472
Entamoeba histolytica	recQ family helicase, putative	0.0012	0.0199	0.1132
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1357	0.132
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0089	0.0472
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0089	0.0472
Brugia malayi	acetyltransferase, GNAT family protein	0.017	0.4435	0.4411
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0089	0.0472
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0126	0.0679
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0089	0.0472
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1357	0.132
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.0009	0.0126	0.0083
Schistosoma mansoni	hypothetical protein	0.0019	0.0375	0.037
Schistosoma mansoni	nicotinate phosphoribosyltransferase	0.007	0.1756	0.1752
Echinococcus granulosus	GPCR family 2	0.0019	0.0375	0.0333
Giardia lamblia	Histone acetyltransferase GCN5	0.0046	0.1107	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1357	0.1353
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0375	0.037
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.0012	0.0199	0.1107
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0126	0.0679
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0375	0.0333
Echinococcus granulosus	mixed lineage leukemia protein mll	0.001	0.015	0.0108
Echinococcus multilocularis	geminin	0.0199	0.5206	0.5185
Loa Loa (eye worm)	SET domain-containing protein	0.01	0.2542	0.2539
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.015	0.0108
Plasmodium falciparum	histone acetyltransferase GCN5	0.0046	0.1107	0.6019
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0043	0.0039
Schistosoma mansoni	DNA helicase recq5	0.0009	0.0126	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1446	0.1442
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0375	0.0333
Schistosoma mansoni	hypothetical protein	0.004	0.095	0.0946
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.002	0.0405	0.1711
Echinococcus granulosus	histone acetyltransferase KAT2B	0.005	0.1219	0.1181
Brugia malayi	latrophilin 2 splice variant baaae	0.004	0.095	0.0911
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0375	0.037
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0126	0.0083
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.005	0.1219	0.6929
Echinococcus granulosus	histone lysine N methyltransferase Ez	0.01	0.2542	0.251
Schistosoma mansoni	bromodomain containing protein	0.0006	0.0043	0.0039
Leishmania major	nicotinate phosphoribosyltransferase, putative	0.007	0.1756	1
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.0009	0.0126	0.0083
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0012	0.0207	0.0164
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1357	0.1353
Schistosoma mansoni	bromodomain containing protein	0.0006	0.0043	0.0039
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0089	0.0472
Echinococcus granulosus	bloom syndrome protein	0.0022	0.0478	0.0436
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0375	0.0333
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.0009	0.0126	0.0083
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0089	0.0472
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0375	0.0333
Mycobacterium tuberculosis	Nicotinic acid phosphoribosyltransferase PncB2	0.007	0.1756	0.5
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0089	0.0472
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1357	0.1353
Schistosoma mansoni	hypothetical protein	0.0019	0.0375	0.037
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.001	0.015	0.0146
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0089	0.0472
Brugia malayi	Bloom's syndrome protein homolog	0.0022	0.0478	0.0436
Schistosoma mansoni	hypothetical protein	0.0019	0.0375	0.037
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0008	0.0089	0.0472
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0089	0.0472
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.0009	0.0126	0.0121
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0059	0.1446	0.1409
Schistosoma mansoni	hypothetical protein	0.0199	0.5206	0.5204
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0043	0.0039
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0089	0.0472
Entamoeba histolytica	recQ family DNA helicase	0.0005	0.0005	0.0027
Trichomonas vaginalis	DNA helicase recq, putative	0.0022	0.0478	0.2692
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0089	0.0472
Schistosoma mansoni	cpg binding protein	0.0037	0.086	0.0856
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0807	0.0767
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0807	0.0803
Echinococcus multilocularis	bloom syndrome protein	0.0022	0.0478	0.0436
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.005	0.1219	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0075	0.1889	0.1885
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.005	0.1219	0.68
Trichomonas vaginalis	DNA helicase recq1, putative	0.0022	0.0478	0.2692
Plasmodium falciparum	nicotinate phosphoribosyltransferase, putative	0.007	0.1756	1
Schistosoma mansoni	nicotinate phosphoribosyltransferase related pre-B cell enhancing factor	0.0378	1	1
Echinococcus multilocularis	cpg binding protein	0.0037	0.086	0.082
Mycobacterium tuberculosis	Nicotinic acid phosphoribosyltransferase PncB1	0.007	0.1756	0.5
Trypanosoma brucei	nicotinate phosphoribosyltransferase, putative	0.007	0.1756	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1357	0.1353
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1357	0.132
Loa Loa (eye worm)	RecQ helicase	0.0022	0.0478	0.0473
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0012	0.0207	0.0164
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0071	0.179	1
Trichomonas vaginalis	bromodomain-containing protein, putative	0.005	0.1219	0.6929
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0375	0.0333
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0053	0.0048
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.017	0.4435	0.4433
Entamoeba histolytica	nicotinate phosphoribosyltransferase, putative	0.007	0.1756	1
Schistosoma mansoni	zinc finger protein	0.0006	0.0043	0.0039
Schistosoma mansoni	enhancer of zeste ezh	0.01	0.2542	0.2539
Trichomonas vaginalis	nicotinate phosphoribosyltransferase, putative	0.007	0.1756	1
Entamoeba histolytica	acetyltransferase, GNAT family	0.0046	0.1107	0.6304
Trichomonas vaginalis	DNA helicase recq, putative	0.0012	0.0199	0.1098
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0089	0.0472
Trichomonas vaginalis	conserved hypothetical protein	0.0008	0.0089	0.0472
Onchocerca volvulus		0.0035	0.0807	0.5
Loa Loa (eye worm)	pre-B cell enhancing factor	0.0378	1	1
Echinococcus granulosus	geminin	0.0199	0.5206	0.5185
Echinococcus granulosus	nicotinamide phosphoribosyltransferase	0.0378	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0089	0.0472
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0126	0.0121
Loa Loa (eye worm)	acetyltransferase	0.017	0.4435	0.4433
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0008	0.0089	0.0472
Plasmodium vivax	SET domain containing protein	0.0006	0.0052	0.0424
Echinococcus multilocularis	histone lysine N methyltransferase E(z)	0.01	0.2542	0.251
Schistosoma mansoni	blooms syndrome DNA helicase	0.0018	0.0352	0.0347
Schistosoma mansoni	hypothetical protein	0.0199	0.5206	0.5204
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.005	0.1219	0.68
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1357	0.132
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.001	0.015	0.0108
Schistosoma mansoni	cpg binding protein	0.0035	0.0807	0.0803
Schistosoma mansoni	nicotinate phosphoribosyltransferase related pre-B cell enhancing factor	0.007	0.1756	0.1752
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0356	0.0352
Schistosoma mansoni	cpg binding protein	0.0037	0.086	0.0856
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1357	0.132
Echinococcus multilocularis	nicotinamide phosphoribosyltransferase	0.0378	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0059	0.1446	0.1409
Trypanosoma cruzi	nicotinate phosphoribosyltransferase, putative	0.007	0.1756	1
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.0015	0.0284	0.2328

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	67.4555 uM	PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1886497

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1582336