TDR Targets

Basic information

Technical information

TDR Targets ID: 1769719
Name: ethyl (2E,5S)-2-[(4-hydroxy-3-methoxyphenyl)m ethylidene]-7-methyl-5-naphthalen-1-yl-3-oxo- 5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxyla te
MW: 500.566 | Formula: C28H24N2O5S
H donors: 1 H acceptors: 3 LogP: 5.33 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: CCOC(=O)C1=C(C)N=c2n([C@H]1c1cccc3c1cccc3)c(=O)/c(=C\c1ccc(c(c1)OC)O)/s2
InChi: 1S/C28H24N2O5S/c1-4-35-27(33)24-16(2)29-28-30(25(24)20-11-7-9-18-8-5-6-10-19(18)20)26(32)23(36-28)15-17-12-13-21(31)22(14-17)34-3/h5-15,25,31H,4H2,1-3H3/b23-15+/t25-/m0/s1
InChiKey: VAXDGQHFMIPPMD-XXMKCSCWSA-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,5S)-2-[(4-hydroxy-3-methoxy-phenyl)methylene]-7-methyl-5-(1-naphthyl)-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
(2E,5S)-2-[(4-hydroxy-3-methoxyphenyl)methylene]-7-methyl-5-(1-naphthyl)-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
(2E,5S)-2-(4-hydroxy-3-methoxy-benzylidene)-3-keto-7-methyl-5-(1-naphthyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
ethyl (2E,5S)-2-[(4-hydroxy-3-methoxy-phenyl)methylidene]-7-methyl-5-naphthalen-1-yl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
ZINC08424879

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	Animal haem peroxidase family protein	0.0088	0.4826	0.6773
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1046	0.1468
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0125	0.7048	0.8837
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0014	0.0459	0.0644
Echinococcus granulosus	thioredoxin glutathione reductase	0.0055	0.2882	0.5973
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0019	0.0758	0.0758
Schistosoma mansoni	hypothetical protein	0.0011	0.0286	0.0286
Brugia malayi	Animal haem peroxidase family protein	0.0088	0.4826	0.6773
Brugia malayi	Animal haem peroxidase family protein	0.0088	0.4826	0.6773
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0126	0.7125	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Schistosoma mansoni	hypothetical protein	0.0024	0.1046	0.1046
Brugia malayi	Animal haem peroxidase family protein	0.0088	0.4826	0.6773
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0035	0.1701	0.2387
Leishmania major	trypanothione reductase	0.0055	0.2882	1
Schistosoma mansoni	hypothetical protein	0.0011	0.0286	0.0286
Loa Loa (eye worm)	animal heme peroxidase	0.0088	0.4826	0.6773
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0011	0.0286	0.0593
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0019	0.0758	0.5
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Onchocerca volvulus		0.0088	0.4826	0.6773
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0019	0.0758	0.2629
Brugia malayi	hypothetical protein	0.0088	0.4826	0.6773
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0011	0.0286	0.0593
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0035	0.1701	0.2387
Loa Loa (eye worm)	glutathione reductase	0.0055	0.2882	0.4045
Onchocerca volvulus	Chorion peroxidase homolog	0.0088	0.4826	0.6773
Schistosoma mansoni	hypothetical protein	0.0011	0.0286	0.0286
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.2776	0.5753
Onchocerca volvulus	Dual oxidase homolog	0.0088	0.4826	0.6773
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.2776	0.5753
Brugia malayi	Latrophilin receptor protein 2	0.0011	0.0286	0.0401
Loa Loa (eye worm)	hypothetical protein	0.0035	0.1701	0.2387
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Onchocerca volvulus		0.0088	0.4826	0.6773
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.2776	0.5753
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.2776	0.3897
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.2776	0.2776
Mycobacterium tuberculosis	Probable oxidoreductase	0.0139	0.7875	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0055	0.2882	0.5973
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.2776	0.3897
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0125	0.7048	0.8837
Echinococcus multilocularis	peroxidasin	0.0088	0.4826	1
Mycobacterium tuberculosis	Probable reductase	0.0125	0.7048	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Brugia malayi	Animal haem peroxidase family protein	0.0088	0.4826	0.6773
Plasmodium falciparum	thioredoxin reductase	0.0055	0.2882	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.2776	0.2776
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0011	0.0286	0.0401
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0125	0.7048	0.8837
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.2776	0.2776
Onchocerca volvulus		0.0088	0.4826	0.6773
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0019	0.0758	0.157
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0019	0.0758	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0088	0.4826	0.6773
Plasmodium vivax	glutathione reductase, putative	0.0055	0.2882	1
Trypanosoma brucei	trypanothione reductase	0.0055	0.2882	1
Brugia malayi	Blistered cuticle protein 3	0.0088	0.4826	0.6773
Trypanosoma cruzi	trypanothione reductase, putative	0.0055	0.2882	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0125	0.7048	0.8837
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0286	0.0401
Loa Loa (eye worm)	animal heme peroxidase	0.0088	0.4826	0.6773
Echinococcus granulosus	peroxidasin	0.0088	0.4826	1
Onchocerca volvulus	Peroxidase homolog	0.0088	0.4826	0.6773
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Loa Loa (eye worm)	blistered cuticle protein 3	0.0088	0.4826	0.6773
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0014	0.0459	0.0644
Plasmodium vivax	thioredoxin reductase, putative	0.0055	0.2882	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0035	0.1701	0.2387
Brugia malayi	glutathione reductase	0.0055	0.2882	0.4045
Brugia malayi	latrophilin 2 splice variant baaae	0.0024	0.1046	0.1468
Loa Loa (eye worm)	animal heme peroxidase	0.0088	0.4826	0.6773
Echinococcus granulosus	GPCR family 2	0.0011	0.0286	0.0593
Schistosoma mansoni	peroxidasin	0.0088	0.4826	0.4826
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0011	0.0286	0.0593
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0055	0.2882	0.2985
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0019	0.0758	0.1064
Schistosoma mansoni	peroxidasin	0.0088	0.4826	0.4826
Trichomonas vaginalis	glutathione reductase, putative	0.0019	0.0758	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0011	0.0286	0.0593
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0139	0.7875	1
Brugia malayi	Thioredoxin reductase	0.0055	0.2882	0.4045
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.2776	0.5753
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0019	0.0758	0.5
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Loa Loa (eye worm)	hypothetical protein	0.0126	0.7125	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0758	0.5
Brugia malayi	Peroxidasin	0.0088	0.4826	0.6773
Loa Loa (eye worm)	animal heme peroxidase	0.0088	0.4826	0.6773
Loa Loa (eye worm)	thioredoxin reductase	0.0055	0.2882	0.4045
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0019	0.0758	0.157
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0139	0.7875	1
Toxoplasma gondii	NADPH-glutathione reductase	0.0019	0.0758	0.2629
Treponema pallidum	NADH oxidase	0.0019	0.0758	0.5
Brugia malayi	N-terminal motif family protein	0.0126	0.7125	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0139	0.7875	1
Onchocerca volvulus	Peroxidase homolog	0.0088	0.4826	0.6773
Onchocerca volvulus	Peroxidasin homolog	0.0088	0.4826	0.6773
Toxoplasma gondii	thioredoxin reductase	0.0055	0.2882	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0011	0.0286	0.0401
Giardia lamblia	NADH oxidase lateral transfer candidate	0.0019	0.0758	0.5
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Echinococcus multilocularis	GPCR, family 2	0.0011	0.0286	0.0593
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0019	0.0758	0.5
Trichomonas vaginalis	mercuric reductase, putative	0.0019	0.0758	0.5
Loa Loa (eye worm)	hypothetical protein	0.0088	0.4826	0.6773
Mycobacterium tuberculosis	Probable dehydrogenase	0.0125	0.7048	0.8837
Schistosoma mansoni	hypothetical protein	0.0011	0.0286	0.0286
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0019	0.0758	0.5
Plasmodium falciparum	glutathione reductase	0.0055	0.2882	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

ChEMBL: CHEMBL2418409

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1769719