TDR Targets

Basic information

Technical information

TDR Targets ID: 877279
Name: methyl (2E)-2-[(3-bromophenyl)methylidene]-5- (2-fluorophenyl)-7-methyl-3-oxo-5H-[1,3]thiaz olo[3,2-a]pyrimidine-6-carboxylate
MW: 487.341 | Formula: C22H16BrFN2O3S
H donors: 0 H acceptors: 2 LogP: 4.89 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1=C(C)N=c2n(C1c1ccccc1F)c(=O)c(=Cc1cccc(c1)Br)s2
InChi: 1S/C22H16BrFN2O3S/c1-12-18(21(28)29-2)19(15-8-3-4-9-16(15)24)26-20(27)17(30-22(26)25-12)11-13-6-5-7-14(23)10-13/h3-11,19H,1-2H3/b17-11+
InChiKey: ZRPFIDLBYYPRBM-GZTJUZNOSA-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

methyl (2E)-2-[(3-bromophenyl)methylene]-5-(2-fluorophenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
(2E)-2-[(3-bromophenyl)methylene]-5-(2-fluorophenyl)-7-methyl-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester
(2E)-2-(3-bromobenzylidene)-5-(2-fluorophenyl)-3-keto-7-methyl-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid methyl ester

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
Plasmodium falciparum	metacaspase 1	0.0685	0.3877	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0054	0.014
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0121	0.0054	0.0054
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.0054	0.014
Trypanosoma cruzi	cysteine peptidase, putative	0.0121	0.0054	0.014
Echinococcus granulosus	cathepsin b	0.0301	0.127	0.1222
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0685	0.3877	1
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0054	0.0054
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0685	0.3877	1
Leishmania major	cysteine peptidase A (CPA)	0.0121	0.0054	0.014
Loa Loa (eye worm)	ctsf protein	0.0121	0.0054	0.0054
Brugia malayi	hypothetical protein	0.0753	0.4336	0.4305
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0054	0.014
Leishmania major	cathepsin L-like protease	0.0121	0.0054	0.014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.0054	0.014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.0054	0.014
Leishmania major	cathepsin L-like protease	0.0121	0.0054	0.014
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0054	0.014
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Brugia malayi	cathepsin B-like cysteine proteinase	0.0301	0.127	0.1222
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.0054	0.014
Schistosoma mansoni	hypothetical protein	0.0753	0.4336	0.4336
Echinococcus granulosus	survival motor neuron protein 1	0.0249	0.0917	0.0867
Schistosoma mansoni	cathepsin F (C01 family)	0.0121	0.0054	0.0054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Leishmania major	cathepsin L-like protease	0.0121	0.0054	0.014
Brugia malayi	mucosa associated lymphoid tissue lymphoma translocation protein 1	0.0685	0.3877	0.3843
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0121	0.0054	0.0054
Leishmania major	cathepsin L-like protease	0.0121	0.0054	0.014
Brugia malayi	Proteasome A-type and B-type family protein	0.0584	0.3193	0.3156
Trypanosoma cruzi	metacaspase, putative	0.0685	0.3877	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0121	0.0054	0.014
Trichomonas vaginalis	conserved hypothetical protein	0.0685	0.3877	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0685	0.3877	1
Echinococcus granulosus	caspase 3	0.07	0.3975	0.3942
Trypanosoma brucei	metacaspase MCA3	0.0685	0.3877	1
Echinococcus multilocularis	cathepsin b	0.0301	0.127	0.1222
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0584	0.3193	0.5
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0753	0.4336	0.4305
Plasmodium vivax	hypothetical protein, conserved	0.0685	0.3877	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0054	0.014
Trypanosoma brucei	metacaspase	0.0685	0.3877	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0121	0.0054	0.014
Trichomonas vaginalis	conserved hypothetical protein	0.0685	0.3877	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0301	0.127	0.127
Loa Loa (eye worm)	fibroinase	0.0121	0.0054	0.0054
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0685	0.3877	1
Mycobacterium ulcerans	proteasome PrcB	0.0584	0.3193	0.5
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0584	0.3193	0.8236
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0584	0.3193	0.3193
Trypanosoma cruzi	metacaspase 5, putative	0.0685	0.3877	1
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0584	0.3193	0.8236
Echinococcus multilocularis	caspase 3	0.07	0.3975	0.3942
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0054	0.014
Trichomonas vaginalis	conserved hypothetical protein	0.0685	0.3877	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Schistosoma mansoni	caspase-7 (C14 family)	0.1385	0.8618	0.8618
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Loa Loa (eye worm)	hypothetical protein	0.0753	0.4336	0.4336
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0685	0.3877	1
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0584	0.3193	0.8211
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0054	0.014
Loa Loa (eye worm)	hypothetical protein	0.0249	0.0917	0.0917
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.1385	0.8618	0.8611
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.0054	0.014
Trichomonas vaginalis	conserved hypothetical protein	0.0685	0.3877	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0121	0.0054	0.014
Loa Loa (eye worm)	hypothetical protein	0.0685	0.3877	0.3877
Leishmania major	proteasome beta 5 subunit, putative	0.0584	0.3193	0.8236
Leishmania major	metacaspase, putative	0.0685	0.3877	1
Echinococcus granulosus	proteasome prosome macropain	0.0584	0.3193	0.3156
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Trypanosoma cruzi	cysteine peptidase, putative	0.0121	0.0054	0.014
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0685	0.3877	1
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.1385	0.8618	0.8611
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0685	0.3877	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.0054	0.014
Trypanosoma cruzi	metacaspase, putative	0.0685	0.3877	1
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0584	0.3193	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.0054	0.014
Schistosoma mansoni	caspase-3 (C14 family)	0.1385	0.8618	0.8618
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0301	0.127	0.127
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Toxoplasma gondii	cathepsin CPL	0.0121	0.0054	0.014
Trypanosoma cruzi	cruzipain precursor, putative	0.0121	0.0054	0.014
Loa Loa (eye worm)	cysteine protease	0.0121	0.0054	0.0054
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0685	0.3877	1
Echinococcus multilocularis	cathepsin b	0.0301	0.127	0.1222
Trypanosoma brucei	Metacaspase-4	0.0685	0.3877	1
Echinococcus granulosus	caspase 8	0.0685	0.3877	0.3843
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0301	0.127	0.127
Trypanosoma cruzi	metacaspase 5, putative	0.0685	0.3877	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0054	0.014
Onchocerca volvulus	Cell death protein 3 homolog	0.1589	1	1
Toxoplasma gondii	proteasome subunit beta type, putative	0.0584	0.3193	0.8236
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0584	0.3193	0.8236
Trypanosoma cruzi	metacaspase, putative	0.0685	0.3877	1
Leishmania major	cathepsin L-like protease	0.0121	0.0054	0.014
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0301	0.127	0.3276
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0584	0.3193	0.5
Trypanosoma brucei	metacaspase 5, putative	0.0685	0.3877	1
Plasmodium vivax	metacaspase 1, putative	0.0685	0.3877	1
Plasmodium falciparum	metacaspase-like protein	0.0685	0.3877	1
Echinococcus multilocularis	caspase	0.1385	0.8618	0.8611
Leishmania major	cathepsin L-like protease	0.0121	0.0054	0.014
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.0054	0.014
Echinococcus granulosus	apoptotic protease activating factor 1	0.0753	0.4336	0.4305
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0584	0.3193	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Echinococcus multilocularis	survival motor neuron protein 1	0.0249	0.0917	0.0867
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.0054	0.014
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0584	0.3193	0.3156
Schistosoma mansoni	caspase-7 (C14 family)	0.1589	1	1
Echinococcus granulosus	caspase	0.1385	0.8618	0.8611
Trypanosoma cruzi	metacaspase, putative	0.0685	0.3877	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0054	0.014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.0054	0.014
Echinococcus multilocularis	caspase 2	0.1589	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0301	0.127	0.127
Brugia malayi	hypothetical protein	0.0249	0.0917	0.0867
Echinococcus granulosus	caspase 2	0.1589	1	1
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0584	0.3193	0.8236
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0584	0.3193	0.3193
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Trichomonas vaginalis	conserved hypothetical protein	0.0685	0.3877	1
Trypanosoma brucei	metacaspase MCA2	0.0685	0.3877	1
Plasmodium falciparum	proteasome subunit beta type-5	0.0584	0.3193	0.8211
Schistosoma mansoni	cathepsin F (C01 family)	0.0121	0.0054	0.0054
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0121	0.0054	0.014
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0121	0.0054	0.014
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0121	0.0054	0.014
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0685	0.3877	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0121	0.0054	0.014
Loa Loa (eye worm)	hypothetical protein	0.1589	1	1
Leishmania major	cathepsin L-like protease	0.0121	0.0054	0.014
Echinococcus granulosus	cathepsin b	0.0301	0.127	0.1222
Schistosoma mansoni	subfamily C14A unassigned peptidase (C14 family)	0.0685	0.3877	0.3877
Onchocerca volvulus		0.0753	0.4336	0.4305
Loa Loa (eye worm)	hypothetical protein	0.0301	0.127	0.127
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0685	0.3877	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0685	0.3877	1
Leishmania major	cathepsin L-like protease	0.0121	0.0054	0.014
Echinococcus multilocularis	caspase 8	0.0685	0.3877	0.3843
Trichomonas vaginalis	conserved hypothetical protein	0.0685	0.3877	1
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0685	0.3877	1

Activities

No activities found for this compound.

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 877279