TDR Targets

Basic information

Technical information

TDR Targets ID: 606676
Name: 5-[(4-dimethylaminophenyl)methylidene]-2-imin o-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
MW: 330.428 | Formula: C15H14N4OS2
H donors: 0 H acceptors: 2 LogP: 3.51 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: N=C1S/C(=C\c2ccc(cc2)N(C)C)/C(=O)N1c1nccs1
InChi: 1S/C15H14N4OS2/c1-18(2)11-5-3-10(4-6-11)9-12-13(20)19(14(16)22-12)15-17-7-8-21-15/h3-9,16H,1-2H3/b12-9-,16-14?
InChiKey: WNCXQEROKFAAEA-JQZIOSGWSA-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

5-[(4-dimethylaminophenyl)methylene]-2-imino-3-thiazol-2-yl-thiazolidin-4-one
5-[(4-dimethylaminophenyl)methylene]-2-imino-3-(2-thiazolyl)-4-thiazolidinone
5-(4-dimethylaminobenzylidene)-2-imino-3-thiazol-2-yl-thiazolidin-4-one
A2363/0099840
ZINC04118917
AG-205/15156191

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Brugia malayi	Cathepsin L-like precursor	0.0151345	1	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0127334	0.781152	0.781152
Loa Loa (eye worm)	hypothetical protein	0.0151345	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0102834	0.557856	0.528265
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Loa Loa (eye worm)	hypothetical protein	0.00485106	0.0627271	0.0627271
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151345	1	1
Plasmodium vivax	vivapain-2	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151345	1	1
Loa Loa (eye worm)	cysteine protease	0.0151345	1	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0102834	0.557856	0.557856
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.00801961	0.351522	0.0332279
Echinococcus granulosus	cysteine protease	0.00801961	0.351522	0.351522
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.00801961	0.351522	0.351522
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151345	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0151345	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151345	1	1
Brugia malayi	Cathepsin L-like precursor	0.0151345	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0151345	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.00801961	0.351522	0.351522
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151345	1	1
Plasmodium vivax	vivapain-3	0.00801961	0.351522	0.308122
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0151345	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151345	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151345	1	1
Loa Loa (eye worm)	hypothetical protein	0.00485106	0.0627271	0.0627271
Leishmania major	cathepsin L-like protease	0.0151345	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0143725	0.930551	0.930551
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0143725	0.930551	0.930551
Entamoeba histolytica	cysteine proteinase, putative	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151345	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0140388	0.900131	0.900131
Schistosoma mansoni	cathepsin s	0.00485106	0.0627271	0.0627271
Onchocerca volvulus		0.0151345	1	1
Brugia malayi	cathepsin F-like cysteine proteinase	0.00485106	0.0627271	0.0627271
Loa Loa (eye worm)	fibroinase	0.0151345	1	1
Leishmania major	cathepsin L-like protease	0.0151345	1	1
Leishmania major	cysteine peptidase A (CPA)	0.0151345	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.00801961	0.351522	0.0332279
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151345	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0151345	1	1
Brugia malayi	Cathepsin L-like precursor	0.0151345	1	1
Giardia lamblia	Cathepsin B precursor	0.00777507	0.329233	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0151345	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0116809	0.685225	0.530723
Trypanosoma cruzi	cysteine peptidase, putative	0.0151345	1	1
Brugia malayi	cathepsin B-like cysteine proteinase	0.0143725	0.930551	0.930551
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0151345	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.00485106	0.0627271	0.0627271
Loa Loa (eye worm)	cathepsin B	0.00777507	0.329233	0.329233
Plasmodium vivax	vivapain-2	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.00801961	0.351522	0.308122
Brugia malayi	Cathepsin L-like precursor	0.00485106	0.0627271	0.0627271
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151345	1	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0127334	0.781152	0.781152
Brugia malayi	Cathepsin L-like precursor	0.0102834	0.557856	0.557856
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0116809	0.685225	0.530723
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.00801961	0.351522	0.0332279
Schistosoma mansoni	cathepsin F (C01 family)	0.0102834	0.557856	0.557856
Plasmodium vivax	vivapain-1	0.00801961	0.351522	0.308122
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0127334	0.781152	0.781152
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0151345	1	1
Brugia malayi	cathepsin L-like precursor	0.0102834	0.557856	0.557856
Loa Loa (eye worm)	hypothetical protein	0.0102834	0.557856	0.557856
Echinococcus multilocularis	cysteine protease	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Echinococcus multilocularis	cathepsin b	0.0143725	0.930551	0.930551
Trypanosoma cruzi	cysteine peptidase, putative	0.0151345	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151345	1	1
Loa Loa (eye worm)	hypothetical protein	0.0102834	0.557856	0.557856
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.00801961	0.351522	0.351522
Loa Loa (eye worm)	hypothetical protein	0.0102834	0.557856	0.557856
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0127334	0.781152	0.781152
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151345	1	1
Onchocerca volvulus	Cathepsin L homolog	0.0151345	1	1
Leishmania major	cathepsin L-like protease	0.0151345	1	1
Echinococcus multilocularis	cathepsin L	0.00801961	0.351522	0.351522
Brugia malayi	Papain family cysteine protease containing protein	0.00801961	0.351522	0.351522
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.00801961	0.351522	0.308122
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0102834	0.557856	0.340837
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Leishmania major	cathepsin L-like protease	0.0151345	1	1
Giardia lamblia	Cathepsin B precursor	0.00777507	0.329233	0.5
Loa Loa (eye worm)	hypothetical protein	0.00485106	0.0627271	0.0627271
Trypanosoma cruzi	cysteine proteinase, putative	0.00801961	0.351522	0.308122
Schistosoma mansoni	cathepsin F (C01 family)	0.0151345	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0140388	0.900131	0.900131
Echinococcus granulosus	cathepsin l1	0.0102834	0.557856	0.557856
Onchocerca volvulus		0.0151345	1	1
Loa Loa (eye worm)	ctsf protein	0.0151345	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0151345	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151345	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151345	1	1
Onchocerca volvulus		0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Leishmania major	cathepsin L-like protease	0.0151345	1	1
Giardia lamblia	Cathepsin B precursor	0.00777507	0.329233	0.5
Echinococcus multilocularis	cysteine protease	0.0151345	1	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0151345	1	1
Onchocerca volvulus		0.0151345	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0151345	1	1
Trypanosoma cruzi	cysteine protease, putative	0.00801961	0.351522	0.308122
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0143725	0.930551	0.930551
Brugia malayi	Cathepsin L-like precursor	0.0151345	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.00801961	0.351522	0.308122
Plasmodium vivax	unspecified product	0.00801961	0.351522	0.308122
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0151345	1	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0151345	1	1
Toxoplasma gondii	cathepsin CPL	0.0151345	1	1
Echinococcus granulosus	cathepsin b	0.0143725	0.930551	0.930551
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151345	1	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.00801961	0.351522	0.351522
Echinococcus granulosus	cathepsin L	0.00801961	0.351522	0.351522
Echinococcus granulosus	cathepsin b	0.0143725	0.930551	0.930551
Entamoeba histolytica	cysteine proteinase, putative	0.0102834	0.557856	0.318182
Echinococcus multilocularis	cathepsin L cysteine protease	0.0151345	1	1
Onchocerca volvulus		0.0151345	1	1
Loa Loa (eye worm)	hypothetical protein	0.0109284	0.616642	0.616642
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151345	1	1
Loa Loa (eye worm)	hypothetical protein	0.0143725	0.930551	0.930551
Leishmania major	cathepsin L-like protease	0.0151345	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.00801961	0.351522	0.0332279
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0102834	0.557856	0.340837
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Onchocerca volvulus	Cathepsin F homolog	0.0151345	1	1
Leishmania major	cathepsin L-like protease	0.0151345	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0143725	0.930551	0.925903
Onchocerca volvulus		0.0151345	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.00777507	0.329233	0.329233
Leishmania major	cathepsin L-like protease	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Echinococcus multilocularis	cathepsin b	0.0143725	0.930551	0.930551
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Brugia malayi	Cathepsin L-like precursor	0.0151345	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0151345	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0143725	0.930551	0.930551
Brugia malayi	Cathepsin L-like precursor	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0151345	1	1
Echinococcus granulosus	cathepsin l1	0.0151345	1	1
Entamoeba histolytica	cysteine protease, putative	0.0151345	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0151345	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0151345	1	1
Brugia malayi	Cathepsin L-like precursor	0.0102834	0.557856	0.557856
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.00485106	0.0627271	0.0627271
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.00777507	0.329233	0.284342
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0151345	1	1
Onchocerca volvulus		0.0151345	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.00801961	0.351522	0.351522

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)		NOVARTIS: Antimalarial liver stage activity measured as a greater than 50% reduction in Plasmodium yoelii schizont area in HepG2-A16-CD81 cells at 10uM compound concentration, determined by immuno-fluorescence.	ChEMBL.	22096101
CC50 (functional)	> 100 uM	Huh7 cytotoxicity for Pf inhibitors	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.2231 uM	PF proliferation inhibition 3D7	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.2231 uM	NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
EC50 (functional)	= 0.3066 uM	W2 Pf proliferation inhibition	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 0.3066 uM	NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay	ChEMBL.	18579783
EC50 (functional)	= 1.829 uM	W2 Pf proliferation inhibition	Novartis-GNF Malaria Box.	No reference
EC50 (functional)	= 5.05 uM	PF proliferation inhibition 3D7	Novartis-GNF Malaria Box.	No reference
IC50 (functional)	= 6.09 uM	DNDI	DNDI.	No reference
IC50 (functional)	= 15.52 uM	DNDI	DNDI.	No reference
IC50	> 41.67 uM	DNDI: Cytotoxicity against human MRC-5 lung fibroblast cells.	ChEMBL.	No reference
IFI promiscuity index	= 0.16667	IFI promiscuity index	Novartis-GNF Malaria Box.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma brucei gambiense
Plasmodium falciparum	ChEMBL23	18579783

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: CHEMBL577633
Search by Novartis-GNF Malaria Box
Search by Novartis-GNF Malaria Box

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 606676