TDR Targets

Basic information

Technical information

TDR Targets ID: 945661
Name: 2-(4-methylphenyl)-5-(thiophen-2-ylmethyliden e)-1,3-thiazol-4-one
MW: 285.384 | Formula: C15H11NOS2
H donors: 0 H acceptors: 1 LogP: 4.18 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)C1=NC(=O)/C(=C/c2cccs2)/S1
InChi: 1S/C15H11NOS2/c1-10-4-6-11(7-5-10)15-16-14(17)13(19-15)9-12-3-2-8-18-12/h2-9H,1H3/b13-9-
InChiKey: VQTFUJSYXYRASE-LCYFTJDESA-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-(4-methylphenyl)-5-(2-thienylmethylene)thiazol-4-one
2-(4-methylphenyl)-5-(2-thienylmethylene)-4-thiazolone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	arachidonate 5-lipoxygenase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	arachidonate 5 lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Echinococcus granulosus	arachidonate 5 lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Schistosoma mansoni	lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482
Schistosoma japonicum	IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing	Get druggable targets OG5_127482	All targets in OG5_127482
Schistosoma japonicum	ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative	Get druggable targets OG5_127482	All targets in OG5_127482
Schistosoma mansoni	lipoxygenase	Get druggable targets OG5_127482	All targets in OG5_127482

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
Onchocerca volvulus	Cathepsin F homolog	0.0458	1	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0458	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0458	1	1
Onchocerca volvulus		0.0458	1	1
Plasmodium vivax	vivapain-3	0.0244	0.4023	0.2959
Echinococcus granulosus	cysteine protease	0.0244	0.4023	0.3212
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0458	1	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0227	0.3565	0.3565
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0458	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0458	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0244	0.4023	0.3212
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Plasmodium vivax	vivapain-2	0.0458	1	1
Echinococcus multilocularis	cysteine protease	0.0458	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0458	1	1
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1511	0.0651
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0458	1	1
Giardia lamblia	Cathepsin B precursor	0.0133	0.092	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0458	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0227	0.3565	0.3565
Brugia malayi	Cathepsin L-like precursor	0.0304	0.5713	0.4949
Brugia malayi	Cathepsin L-like precursor	0.0458	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0133	0.092	0.092
Trypanosoma cruzi	cysteine peptidase, putative	0.0458	1	1
Leishmania major	cathepsin L-like protease	0.0458	1	1
Leishmania major	cathepsin L-like protease	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Loa Loa (eye worm)	hypothetical protein	0.0458	1	1
Onchocerca volvulus		0.0458	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0304	0.5713	0.2827
Leishmania major	cathepsin L-like protease	0.0458	1	1
Leishmania major	cathepsin L-like protease	0.0458	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0458	1	1
Plasmodium vivax	unspecified product	0.0244	0.4023	0.2959
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0458	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0154	0.1511	0.0651
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0304	0.5713	0.5278
Trypanosoma cruzi	cysteine protease, putative	0.0244	0.4023	0.3417
Onchocerca volvulus		0.0458	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0458	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0304	0.5713	0.5713
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0244	0.4023	0.3417
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0304	0.5713	0.5278
Brugia malayi	Cathepsin L-like precursor	0.0458	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0154	0.1511	0.0651
Schistosoma mansoni	cathepsin s	0.0154	0.1511	0.1511
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0154	0.1511	0.0651
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0458	1	1
Plasmodium vivax	vivapain-1	0.0244	0.4023	0.2959
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Loa Loa (eye worm)	hypothetical protein	0.0304	0.5713	0.5278
Leishmania major	cathepsin L-like protease	0.0458	1	1
Onchocerca volvulus		0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0458	1	1
Onchocerca volvulus		0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0458	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0458	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0458	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0458	1	1
Brugia malayi	Cathepsin L-like precursor	0.0458	1	1
Brugia malayi	cathepsin L-like precursor	0.0304	0.5713	0.4949
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Loa Loa (eye worm)	hypothetical protein	0.0304	0.5713	0.5278
Leishmania major	cathepsin L-like protease	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0304	0.5713	0.5278
Loa Loa (eye worm)	hypothetical protein	0.0304	0.5713	0.5278
Schistosoma mansoni	cathepsin F (C01 family)	0.0458	1	1
Echinococcus granulosus	cathepsin b	0.0227	0.3565	0.2692
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0458	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0458	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0458	1	1
Toxoplasma gondii	cathepsin CPL	0.0458	1	1
Echinococcus multilocularis	cysteine protease	0.0458	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0458	1	1
Brugia malayi	Cathepsin L-like precursor	0.0458	1	1
Echinococcus multilocularis	cathepsin b	0.0227	0.3565	0.2692
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0458	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0244	0.4023	0.4023
Echinococcus granulosus	cathepsin b	0.0227	0.3565	0.2692
Schistosoma mansoni	lipoxygenase	0.0142	0.1195	0.1195
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0227	0.3565	0.3565
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.0244	0.4023	0.2959
Echinococcus granulosus	cathepsin L	0.0244	0.4023	0.3212
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Entamoeba histolytica	cysteine protease, putative	0.0458	1	1
Loa Loa (eye worm)	cysteine protease	0.0458	1	1
Loa Loa (eye worm)	ctsf protein	0.0458	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Brugia malayi	Cathepsin L-like precursor	0.0458	1	1
Giardia lamblia	Cathepsin B precursor	0.0133	0.092	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0458	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0244	0.4023	0.3417
Brugia malayi	Cathepsin L-like precursor	0.0304	0.5713	0.4949
Echinococcus multilocularis	cathepsin L cysteine protease	0.0458	1	1
Leishmania major	cathepsin L-like protease	0.0458	1	1
Leishmania major	cathepsin L-like protease	0.0458	1	1
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1511	0.0651
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0458	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Echinococcus granulosus	cathepsin l1	0.0458	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0458	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0458	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0304	0.5713	0.4949
Trypanosoma cruzi	cysteine proteinase, putative	0.0244	0.4023	0.3417
Brugia malayi	Papain family cysteine protease containing protein	0.0458	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0244	0.4023	0.3417
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0458	1	1
Loa Loa (eye worm)	fibroinase	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0244	0.4023	0.3417
Echinococcus multilocularis	cathepsin b	0.0227	0.3565	0.2692
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0458	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0244	0.4023	0.4023
Brugia malayi	Papain family cysteine protease containing protein	0.0244	0.4023	0.2959
Loa Loa (eye worm)	hypothetical protein	0.0154	0.1511	0.0651
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0458	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0227	0.3565	0.2913
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0244	0.4023	0.3417
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0244	0.4023	0.4023
Plasmodium vivax	vivapain-2	0.0458	1	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0227	0.3565	0.2419
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0227	0.3565	0.3565
Loa Loa (eye worm)	hypothetical protein	0.0227	0.3565	0.2913
Onchocerca volvulus	Cathepsin L homolog	0.0458	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0458	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0458	1	1
Echinococcus multilocularis	cathepsin L	0.0244	0.4023	0.3212
Giardia lamblia	Cathepsin B precursor	0.0133	0.092	0.5
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0244	0.4023	0.3417
Trypanosoma cruzi	cysteine peptidase, putative	0.0244	0.4023	0.3417
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0458	1	1
Onchocerca volvulus		0.0458	1	1
Onchocerca volvulus		0.0458	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0458	1	1
Echinococcus granulosus	cathepsin l1	0.0304	0.5713	0.5131

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.86 uM	Inhibition of 5-LO in human PMNL S100 extract using arachidonic acid as substrate incubated for 15 mins prior to substrate addition measured after 10 mins by HPLC analysis	ChEMBL.	25462262
IC50 (binding)	= 0.98 uM	Inhibition of 5-LO in human PMNL using arachidonic acid as substrate assessed as product formation incubated for 15 mins prior to substrate addition measured after 10 mins by HPLC analysis	ChEMBL.	25462262

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: CHEMBL3353701

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 945661