TDR Targets

Basic information

Technical information

TDR Targets ID: 517804
Name: (5Z)-3-ethyl-5-[(3-hydroxy-4-methoxyphenyl)me thylidene]-2-sulfanylidene-1,3-thiazolidin-4- one
MW: 295.377 | Formula: C13H13NO3S2
H donors: 1 H acceptors: 2 LogP: 2.96 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCN1C(=S)S/C(=C\c2ccc(c(c2)O)OC)/C1=O
InChi: 1S/C13H13NO3S2/c1-3-14-12(16)11(19-13(14)18)7-8-4-5-10(17-2)9(15)6-8/h4-7,15H,3H2,1-2H3/b11-7-
InChiKey: FNSPIYWXLTXJCK-XFFZJAGNSA-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

(5Z)-3-ethyl-5-[(3-hydroxy-4-methoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
(5Z)-3-ethyl-5-[(3-hydroxy-4-methoxyphenyl)methylene]-2-thioxo-4-thiazolidinone
(5Z)-3-ethyl-5-[(3-hydroxy-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
(5Z)-3-ethyl-5-(3-hydroxy-4-methoxy-benzylidene)-2-thioxo-thiazolidin-4-one
3-ethyl-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
3-ethyl-5-[(3-hydroxy-4-methoxy-phenyl)methylene]-2-thioxo-thiazolidin-4-one
3-ethyl-5-[(3-hydroxy-4-methoxyphenyl)methylene]-2-thioxo-4-thiazolidinone
3-Ethyl-5-(3-hydroxy-4-methoxy-benzylidene)-2-thioxo-thiazolidin-4-one
3-ethyl-5-[(3-hydroxy-4-methoxy-phenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
ZINC01013885

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	phosphodiesterase 4B, cAMP-specific	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	IPR002073,3'5'-cyclic nucleotide phosphodiesterase,domain-containing	Get druggable targets OG5_128242	All targets in OG5_128242
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4C, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_128242	All targets in OG5_128242
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128242	All targets in OG5_128242
Neospora caninum	cAMP-specific phosphodiesterase, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase 4D, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Cryptosporidium parvum	membrane associated HD superfamily cyclic nucleotide phosphodiesterase domain containing protein	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Schistosoma japonicum	cAMP-specific 3',5'-cyclic phosphodiesterase, isoform F, putative	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	Get druggable targets OG5_128242	All targets in OG5_128242
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	Get druggable targets OG5_128242	All targets in OG5_128242

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
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0025	0.0431	1
Brugia malayi	Carboxylesterase family protein	0.0025	0.0431	0.0431
Echinococcus multilocularis	neuroligin	0.0025	0.0431	0.0431
Brugia malayi	Carboxylesterase family protein	0.0025	0.0431	0.0431
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1304	0.2511
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0	0.5
Schistosoma mansoni	gliotactin	0.0025	0.0431	0.0831
Plasmodium vivax	phosphodiesterase gamma, putative	0.0014	0	0.5
Brugia malayi	Carboxylesterase family protein	0.0145	0.5192	0.5192
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1304	0.1304
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0	0.5
Brugia malayi	Carboxylesterase family protein	0.0025	0.0431	0.0431
Onchocerca volvulus		0.0025	0.0431	0.5
Loa Loa (eye worm)	hypothetical protein	0.0112	0.3873	0.3873
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0025	0.0431	0.0431
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0145	0.5192	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0431	0.0431
Echinococcus granulosus	carboxylesterase 5A	0.0145	0.5192	0.5192
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	0.3873	0.3873
Echinococcus multilocularis	carboxylesterase 5A	0.0145	0.5192	0.5192
Echinococcus granulosus	neuroligin	0.0025	0.0431	0.0431
Schistosoma mansoni	BC026374 protein (S09 family)	0.0025	0.0431	0.0831
Schistosoma mansoni	acetylcholinesterase	0.0025	0.0431	0.0831
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0025	0.0431	0.0831
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1304	0.2511
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0025	0.0431	0.0831
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0	0.5
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0112	0.3873	0.3873
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.1304	0.1304
Onchocerca volvulus		0.0025	0.0431	0.5
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0014	0	0.5
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0025	0.0431	0.5
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0025	0.0431	0.0831
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1304	0.1304
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0014	0	0.5
Loa Loa (eye worm)	carboxylesterase	0.0025	0.0431	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0145	0.5192	0.5192
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0014	0	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.1304	0.1304
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0	0.5
Brugia malayi	Carboxylesterase family protein	0.0025	0.0431	0.0431
Trypanosoma brucei	cAMP-specific phosphodiesterase, putative	0.0014	0	0.5
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0098	0.3336	0.3336
Leishmania major	cAMP-specific phosphodiesterase, putative	0.0014	0	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0025	0.0431	0.5
Echinococcus multilocularis	para nitrobenzyl esterase	0.0025	0.0431	0.0431
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0145	0.5192	0.5192
Plasmodium vivax	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0431	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0431	0.0431
Onchocerca volvulus		0.0025	0.0431	0.5
Trypanosoma cruzi	cAMP-specific phosphodiesterase, putative	0.0014	0	0.5
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0014	0	0.5
Mycobacterium ulcerans	carboxylesterase, LipT	0.0025	0.0431	0.5
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0112	0.3873	0.3873
Loa Loa (eye worm)	acetylcholinesterase 1	0.0145	0.5192	0.5192
Trypanosoma brucei	3', 5'-cyclic nucleotide phosphodiesterase, putative	0.0014	0	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0025	0.0431	0.0831
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0014	0	0.5
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0014	0	0.5
Echinococcus granulosus	acetylcholinesterase	0.0145	0.5192	0.5192
Echinococcus multilocularis	acetylcholinesterase	0.0145	0.5192	0.5192
Trichomonas vaginalis	spcc417.12 protein, putative	0.0025	0.0431	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0	0.5
Leishmania major	hypothetical protein, conserved	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0431	0.0431
Giardia lamblia	CAMP-specific 3,5-cyclic phosphodiesterase 4B	0.0112	0.3873	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0014	0	0.5
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0014	0	0.5
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0025	0.0431	0.0431
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0025	0.0431	0.0431
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0025	0.0431	0.5
Echinococcus multilocularis	zinc finger transcription factor gli2	0.0267	1	1
Trypanosoma cruzi	cyclic nucleotide phosphodiesterase	0.0014	0	0.5
Echinococcus granulosus	acetylcholinesterase	0.0145	0.5192	0.5192
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0431	0.0431
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0014	0	0.5
Echinococcus granulosus	zinc finger transcription factor gli2	0.0267	1	1
Trypanosoma brucei	cAMP phosphodiesterase A, putative	0.0014	0	0.5
Brugia malayi	Carboxylesterase family protein	0.0145	0.5192	0.5192
Echinococcus granulosus	para nitrobenzyl esterase	0.0025	0.0431	0.0431
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0431	0.0431
Echinococcus multilocularis	cAMP specific 3',5' cyclic phosphodiesterase	0.0112	0.3873	0.3873
Plasmodium falciparum	phosphodiesterase delta, putative	0.0014	0	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.1304	0.1304
Trypanosoma cruzi	cAMP phosphodiesterase A, putative	0.0014	0	0.5
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0014	0	0.5
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase R153.1, putative	0.0098	0.3336	0.3336
Loa Loa (eye worm)	zinc finger protein	0.0267	1	1
Onchocerca volvulus		0.0025	0.0431	0.5
Brugia malayi	hypothetical protein	0.0025	0.0431	0.0431
Leishmania major	cAMP phosphodiesterase A, putative;with=GeneDB:LinJ18_V3.1100	0.0014	0	0.5
Onchocerca volvulus		0.0025	0.0431	0.5
Plasmodium vivax	cyclic nucleotide phosphodiesterase, putative	0.0014	0	0.5
Loa Loa (eye worm)	cyclic AMP specific phosphodiesterase PDE4D5A	0.0098	0.3336	0.3336
Leishmania major	hypothetical protein, conserved	0.0014	0	0.5
Schistosoma mansoni	camp-specific 35-cyclic phosphodiesterase	0.0112	0.3873	0.7459
Plasmodium falciparum	cGMP-specific phosphodiesterase	0.0014	0	0.5
Plasmodium falciparum	phosphodiesterase gamma, putative	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0431	0.0431
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0112	0.3873	1
Trypanosoma brucei	hypothetical protein, conserved	0.0014	0	0.5
Loa Loa (eye worm)	carboxylesterase	0.0025	0.0431	0.0431
Echinococcus multilocularis	acetylcholinesterase	0.0145	0.5192	0.5192
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.1304	0.1304
Echinococcus granulosus	cAMP specific 3'5' cyclic phosphodiesterase	0.0098	0.3336	0.3336
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.1304	0.2511
Plasmodium falciparum	3',5'-cyclic nucleotide phosphodiesterase, putative	0.0014	0	0.5
Loa Loa (eye worm)	carboxylesterase	0.0145	0.5192	0.5192
Echinococcus granulosus	BC026374 protein S09 family	0.0025	0.0431	0.0431

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Inhibition of PDE3A (unknown origin)	ChEMBL.	18304812
Activity (binding)	0	Inhibition of PDE3A (unknown origin)	ChEMBL.	18304812
IC50 (binding)	= 11.2 uM	Inhibition of PDE4B (unknown origin)	ChEMBL.	18304812
IC50 (binding)	= 11.2 uM	Inhibition of PDE4B (unknown origin)	ChEMBL.	18304812

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: CHEMBL255611
PubChem: 2170892

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 517804