TDR Targets

Basic information

Technical information

TDR Targets ID: 658575
Name: ethyl (2E)-2-[(2-acetyloxyphenyl)methylidene] -7-methyl-5-(4-methylphenyl)-3-oxo-5H-[1,3]th iazolo[3,2-a]pyrimidine-6-carboxylate
MW: 476.544 | Formula: C26H24N2O5S
H donors: 0 H acceptors: 3 LogP: 4.58 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)C1=C(C)N=c2n(C1c1ccc(cc1)C)c(=O)c(=Cc1ccccc1OC(=O)C)s2
InChi: 1S/C26H24N2O5S/c1-5-32-25(31)22-16(3)27-26-28(23(22)18-12-10-15(2)11-13-18)24(30)21(34-26)14-19-8-6-7-9-20(19)33-17(4)29/h6-14,23H,5H2,1-4H3/b21-14+
InChiKey: RKLUZWMOHURLOL-KGENOOAVSA-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)-2-[(2-acetoxyphenyl)methylene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylate
(2E)-2-[(2-acetoxyphenyl)methylene]-7-methyl-5-(4-methylphenyl)-3-oxo-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
(2E)-2-(2-acetoxybenzylidene)-3-keto-7-methyl-5-(4-methylphenyl)-5H-thiazolo[3,2-a]pyrimidine-6-carboxylic acid ethyl ester
BAS 00664797
AG-690/11668669

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	ATP-dependent 6-phosphofructokinase	0.0031	0.0126	0.0154
Schistosoma mansoni	cpg binding protein	0.0035	0.0153	0.0629
Schistosoma mansoni	bromodomain containing protein	0.0068	0.0371	0.1522
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0136	0.0822	0.3375
Mycobacterium leprae	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.0221	0.138	1
Schistosoma mansoni	cpg binding protein	0.0035	0.0153	0.0629
Loa Loa (eye worm)	phenylalanyl-tRNA synthetase	0.0242	0.1516	0.6586
Echinococcus granulosus	6 phosphofructokinase	0.0113	0.0671	0.2165
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0252	0.1035
Brugia malayi	phenylalanyl (f) trna synthetase protein 1	0.0358	0.2278	1
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0113	0.0671	0.2531
Brugia malayi	phosphofructokinase	0.0113	0.0671	0.2945
Echinococcus multilocularis	cpg binding protein	0.0035	0.0153	0.0495
Echinococcus multilocularis	zinc finger protein	0.0022	0.0071	0.0228
Mycobacterium ulcerans	6-phosphofructokinase	0.0113	0.0671	0.0501
Toxoplasma gondii	Ferredoxin-fold anticodon binding domain-containing protein	0.0242	0.1516	0.6513
Toxoplasma gondii	6-phosphofructokinase	0.0031	0.0126	0.0154
Leishmania major	ATP-dependent phosphofructokinase	0.0113	0.0671	0.2852
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0171	0.0553
Entamoeba histolytica	phenylalanyl-tRNA synthetase alpha subunit, putative	0.0358	0.2278	1
Schistosoma mansoni	hypothetical protein	0.0022	0.0066	0.0272
Brugia malayi	Bromodomain containing protein	0.008	0.0451	0.1981
Echinococcus granulosus	geminin	0.0382	0.2436	0.7859
Schistosoma mansoni	zinc finger protein	0.0016	0.003	0.0122
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0249	0.1024
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0018	0.0042	0.0135
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0113	0.0671	0.2852
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0018	0.0046	0.0149
Trichomonas vaginalis	phosphofructokinase, putative	0.0113	0.0671	0.2531
Trichomonas vaginalis	phosphofructokinase, putative	0.0113	0.0671	0.2531
Echinococcus multilocularis	phenylalanyl tRNA synthetase	0.0242	0.1516	0.4891
Brugia malayi	6-phosphofructokinase	0.0113	0.0671	0.2945
Echinococcus granulosus	zinc finger protein	0.0022	0.0071	0.0228
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0057	0.0297	0.096
Loa Loa (eye worm)	hypothetical protein	0.005	0.0252	0.0924
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0242	0.1516	0.6513
Echinococcus multilocularis	neuropeptide receptor A26	0.0482	0.3099	1
Echinococcus granulosus	phenylalanyl tRNA synthetase alpha chain B	0.0358	0.2278	0.7349
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0025	0.0091	0.0294
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0249	0.1024
Echinococcus multilocularis	neuropeptide s receptor	0.0482	0.3099	1
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0042	0.0171
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0129	0.037
Leishmania major	hypothetical protein, conserved	0.0026	0.0093	0.028
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0113	0.0671	0.0501
Loa Loa (eye worm)	hypothetical protein	0.0358	0.2278	1
Brugia malayi	hypothetical protein	0.0016	0.0033	0.0145
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.1531	1	1
Loa Loa (eye worm)	PHD-finger family protein	0.0022	0.0066	0.0091
Echinococcus multilocularis	phenylalanyl tRNA synthetase alpha chain B	0.0358	0.2278	0.7349
Onchocerca volvulus		0.005	0.0252	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0188	0.0637
Echinococcus multilocularis	geminin	0.0382	0.2436	0.7859
Toxoplasma gondii	phosphofructokinase domain-containing protein	0.0031	0.0126	0.0154
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0136	0.0822	0.3339
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0093	0.0209
Plasmodium vivax	phenylalanine--tRNA ligase alpha subunit, putative	0.0358	0.2278	1
Toxoplasma gondii	phenylalanyl-tRNA synthetase alpha chain A, putative	0.0358	0.2278	1
Brugia malayi	mbt repeat family protein	0.005	0.0252	0.1107
Giardia lamblia	Phenylalanyl-tRNA synthetase alpha chain	0.0358	0.2278	1
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0358	0.2278	1
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0057	0.0297	0.1221
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0057	0.0297	0.1306
Schistosoma mansoni	phenylalanyl-tRNA synthetase mitochondrial	0.0242	0.1516	0.6223
Schistosoma mansoni	6-phosphofructokinase	0.0113	0.0671	0.2754
Echinococcus granulosus	phenylalanyl tRNA synthetase	0.0242	0.1516	0.4891
Brugia malayi	hypothetical protein	0.0026	0.0093	0.0406
Trypanosoma brucei	phenylalanyl-tRNA synthetase alpha chain, putative	0.0358	0.2278	1
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0057	0.0297	0.096
Plasmodium falciparum	phenylalanine--tRNA ligase alpha subunit	0.0358	0.2278	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0204	0.071
Echinococcus multilocularis	polycomb protein SCMH1	0.005	0.0252	0.0814
Trichomonas vaginalis	phosphofructokinase, putative	0.0113	0.0671	0.2531
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.005	0.0252	0.1035
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0358	0.2278	0.935
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0046	0.019
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0046	0.0001
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0242	0.1516	0.6513
Loa Loa (eye worm)	6-phosphofructokinase	0.0113	0.0671	0.28
Loa Loa (eye worm)	phosphofructokinase	0.0113	0.0671	0.28
Plasmodium vivax	6-phosphofructokinase, putative	0.0031	0.0126	0.0154
Echinococcus granulosus	SAM and MBT domain containing protein	0.005	0.0252	0.0814
Schistosoma mansoni	zinc finger protein	0.0022	0.0071	0.029
Treponema pallidum	phenylalanyl-tRNA synthetase subunit alpha	0.0358	0.2278	1
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0196	0.1215	0.3921
Loa Loa (eye worm)	6-phosphofructokinase	0.0113	0.0671	0.28
Plasmodium falciparum	ATP-dependent 6-phosphofructokinase	0.0031	0.0126	0.0154
Leishmania major	phenylalanyl-tRNA synthetase alpha chain, putative	0.0358	0.2278	1
Chlamydia trachomatis	phenylalanine--tRNA ligase subunit beta	0.0039	0.0179	0.0054
Trypanosoma cruzi	phenylalanyl-tRNA synthetase alpha chain, putative	0.0358	0.2278	1
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit alpha	0.1531	1	1
Brugia malayi	6-phosphofructokinase	0.0113	0.0671	0.2945
Brugia malayi	mbt repeat family protein	0.005	0.0252	0.1107
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0249	0.0912
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0018	0.0042	0.0135
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0129	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0074	0.041	0.1632
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0093	0.028
Schistosoma mansoni	hypothetical protein	0.0016	0.003	0.0122
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0249	0.0805
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0171	0.0553
Schistosoma mansoni	hypothetical protein	0.0382	0.2436	1
Schistosoma mansoni	hypothetical protein	0.0303	0.1915	0.7863
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0018	0.0046	0.019
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0175	0.1077	0.4504
Echinococcus granulosus	histone lysine methyltransferase setb	0.0018	0.0046	0.0149
Plasmodium vivax	6-phosphofructokinase, putative	0.0031	0.0126	0.0154
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0064	0.0346	0.1117
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0196	0.1215	0.3921
Entamoeba histolytica	phosphofructokinase, putative	0.0113	0.0671	0.2531
Trichomonas vaginalis	phosphofructokinase, putative	0.0113	0.0671	0.2531
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.005	0.0252	1
Toxoplasma gondii	phosphofructokinase PFKII	0.0031	0.0126	0.0154
Echinococcus granulosus	histone acetyltransferase MYST2	0.0057	0.0297	0.096
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0249	0.0805
Schistosoma mansoni	sex comb on midleg homolog	0.005	0.0252	0.1035
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0049	0.0249	0.1024
Schistosoma mansoni	hypothetical protein	0.0382	0.2436	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0093	0.028
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0113	0.0671	0.2852
Echinococcus granulosus	cpg binding protein	0.0035	0.0153	0.0495
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0057	0.0297	0.096
Schistosoma mansoni	cpg binding protein	0.0031	0.0129	0.0528
Loa Loa (eye worm)	mbt repeat family protein	0.005	0.0252	0.0924
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0064	0.0346	0.1117
Echinococcus granulosus	neuropeptide s receptor	0.0482	0.3099	1
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0297	0.1127
Echinococcus multilocularis	6 phosphofructokinase	0.0113	0.0671	0.2165
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0018	0.0042	0.0171
Brugia malayi	phenylalanyl-tRNA synthetase, mitochondrial precursor, putative	0.0242	0.1516	0.6655
Brugia malayi	Bromodomain containing protein	0.004	0.0188	0.0823
Loa Loa (eye worm)	MBCTL1	0.0057	0.0297	0.1127
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0066	0.0357	0.1466
Schistosoma mansoni	6-phosphofructokinase	0.0113	0.0671	0.2754
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0249	0.1095
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0136	0.0822	0.3235
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit alpha	0.1531	1	1
Echinococcus granulosus	polycomb protein SCMH1	0.005	0.0252	0.0814
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0249	0.0805
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0249	0.0805
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0025	0.0091	0.0374
Entamoeba histolytica	phosphofructokinase, putative	0.0113	0.0671	0.2531
Brugia malayi	PHD-finger family protein	0.0028	0.0107	0.0471
Echinococcus granulosus	fetal alzheimer antigen falz	0.0025	0.0091	0.0294
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0229	0.0821
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0136	0.0822	0.3235
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0061	0.0327	0.1074
Entamoeba histolytica	phosphofructokinase, putative	0.0113	0.0671	0.2531
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0093	0.028
Echinococcus granulosus	neuropeptide receptor A26	0.0482	0.3099	1
Echinococcus multilocularis	SAM and MBT domain containing protein	0.005	0.0252	0.0814

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 658575