TDR Targets

Basic information

Technical information

TDR Targets ID: 1438990
Name: 3-(2,4-dimethoxyphenyl)-N,N-diethyl-5-methyl- 2,4-dioxo-1-(2-oxo-2-phenylethyl)thieno[5,4-d ]pyrimidine-6-carboxamide
MW: 535.611 | Formula: C28H29N3O6S
H donors: 0 H acceptors: 4 LogP: 4.63 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CCN(C(=O)c1sc2c(c1C)c(=O)n(c(=O)n2CC(=O)c1ccccc1)c1ccc(cc1OC)OC)CC
InChi: 1S/C28H29N3O6S/c1-6-29(7-2)26(34)24-17(3)23-25(33)31(20-14-13-19(36-4)15-22(20)37-5)28(35)30(27(23)38-24)16-21(32)18-11-9-8-10-12-18/h8-15H,6-7,16H2,1-5H3
InChiKey: ZMVPOGGUQIVASK-UHFFFAOYSA-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

3-(2,4-dimethoxyphenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1-(2-oxo-2-phenyl-ethyl)thieno[5,4-d]pyrimidine-6-carboxamide
3-(2,4-dimethoxyphenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1-(2-oxo-2-phenylethyl)-6-thieno[5,4-d]pyrimidinecarboxamide
3-(2,4-dimethoxyphenyl)-N,N-diethyl-2,4-diketo-1-(2-keto-2-phenyl-ethyl)-5-methyl-thieno[5,4-d]pyrimidine-6-carboxamide
3-(2,4-dimethoxyphenyl)-N,N-diethyl-5-methyl-2,4-dioxo-1-(2-oxo-2-phenylethyl)-1,2,3,4-tetrahydrothieno[2,3-d]pyrimidine-6-carboxamide
MLS000622010
SMR000310937

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	glucosidase, alpha	Starlite/ChEMBL	No references
Equus caballus	Ferritin light chain	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Brugia malayi	Glycosyl hydrolases family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	Lysosomal alpha-glucosidase precursor, putative	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	hypothetical protein	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma mansoni	alpha-glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Schistosoma japonicum	ko:K01187 alpha-glucosidase [EC3.2.1.20], putative	Get druggable targets OG5_127055	All targets in OG5_127055
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus multilocularis	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Echinococcus granulosus	lysosomal alpha glucosidase	Get druggable targets OG5_127055	All targets in OG5_127055
Candida albicans	closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase	Get druggable targets OG5_127055	All targets in OG5_127055
Onchocerca volvulus		Get druggable targets OG5_127055	All targets in OG5_127055

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	43.9 %
Schistosoma mansoni	ferritin	Ferritin light chain	175 aa	171 aa	44.4 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	146 aa	28.8 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
Schistosoma japonicum	Ferritin, putative	Ferritin light chain	175 aa	144 aa	24.3 %
Echinococcus granulosus	expressed protein	Ferritin light chain	175 aa	146 aa	28.8 %
Echinococcus multilocularis	expressed protein	Ferritin light chain	175 aa	146 aa	30.1 %
Schistosoma mansoni	apoferritin-2	Ferritin light chain	175 aa	142 aa	29.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.1141	1	1
Plasmodium falciparum	glycogen synthase kinase 3	0.0723	0.5928	1
Trypanosoma brucei	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0525	0.4005	0.0384
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0723	0.5928	0.3468
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0723	0.5928	0.5881
Entamoeba histolytica	protein kinase domain containing protein	0.0525	0.4005	0.0384
Echinococcus multilocularis	casein kinase I delta	0.0501	0.3766	0.3218
Entamoeba histolytica	cell division protein kinase 2, putative	0.0608	0.4806	0.1669
Echinococcus granulosus	dual specificity	0.0525	0.4005	0.3479
Schistosoma mansoni	hypothetical protein	0.0205	0.0884	0.0363
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0723	0.5928	0.557
Trichomonas vaginalis	CMGC family protein kinase	0.0723	0.5928	1
Trypanosoma cruzi	cdc2-related kinase 1	0.0608	0.4806	0.2034
Brugia malayi	Dual-specificity tyrosine-phosphorylation regulated kinase 2	0.0525	0.4005	0.3936
Plasmodium falciparum	protein kinase 5	0.0608	0.4806	0.4813
Echinococcus granulosus	dual specificity	0.0525	0.4005	0.3479
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0723	0.5928	0.3754
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.1141	1	1
Echinococcus multilocularis	cyclin dependent kinase	0.0608	0.4806	0.435
Giardia lamblia	Kinase, CMGC GSK	0.0723	0.5928	1
Schistosoma mansoni	serine/threonine protein kinase	0.1141	1	1
Trypanosoma cruzi	casein kinase, putative	0.0501	0.3766	0.0438
Trichomonas vaginalis	CMGC family protein kinase	0.0608	0.4806	0.4813
Schistosoma mansoni	protein kinase	0.0501	0.3766	0.3409
Onchocerca volvulus		0.0471	0.348	0.5871
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0608	0.4806	0.435
Echinococcus granulosus	casein kinase I alpha	0.0501	0.3766	0.3218
Trichomonas vaginalis	CMGC family protein kinase	0.0525	0.4005	0.1108
Echinococcus multilocularis	casein kinase i	0.0501	0.3766	0.3218
Echinococcus multilocularis	protein kinase shaggy	0.0723	0.5928	0.557
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.1141	1	1
Echinococcus granulosus	cyclin dependent kinase 5	0.0608	0.4806	0.435
Loa Loa (eye worm)	CK1/CK1/CK1-A protein kinase	0.0501	0.3766	0.3694
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0723	0.5928	1
Loa Loa (eye worm)	CMGC/DYRK/DYRK2 protein kinase	0.0525	0.4005	0.3936
Echinococcus multilocularis	casein kinase I alpha	0.0501	0.3766	0.3218
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0723	0.5928	0.5881
Trichomonas vaginalis	CMGC family protein kinase	0.0525	0.4005	0.1108
Trypanosoma cruzi	cdc2-related kinase 3	0.0608	0.4806	0.2034
Giardia lamblia	Kinase, CMGC DYRK	0.0525	0.4005	0.1108
Echinococcus granulosus	geminin	0.0205	0.0884	0.0083
Echinococcus multilocularis	cyclin dependent kinase 1	0.0608	0.4806	0.435
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0608	0.4806	0.4746
Loa Loa (eye worm)	hypothetical protein	0.1112	0.9715	0.9711
Trichomonas vaginalis	CMGC family protein kinase	0.0525	0.4005	0.1108
Onchocerca volvulus		0.0501	0.3766	0.6353
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0723	0.5928	0.5695
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0608	0.4806	0.4813
Echinococcus multilocularis	dual specificity	0.0525	0.4005	0.3479
Schistosoma mansoni	serine/threonine protein kinase	0.0608	0.4806	0.4509
Trypanosoma brucei	protein kinase, putative	0.0723	0.5928	0.3468
Trichomonas vaginalis	CMGC family protein kinase	0.0525	0.4005	0.1108
Echinococcus granulosus	cyclin dependent kinase 1	0.0608	0.4806	0.435
Onchocerca volvulus		0.0723	0.5928	1
Trichomonas vaginalis	CMGC family protein kinase	0.0525	0.4005	0.1108
Echinococcus multilocularis	dual specificity	0.0525	0.4005	0.3479
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0247	0.1299	0.0535
Echinococcus multilocularis	casein kinase I delta	0.0501	0.3766	0.3218
Schistosoma mansoni	serine/threonine protein kinase	0.0501	0.3766	0.3409
Entamoeba histolytica	cell division protein kinase 2, putative	0.0608	0.4806	0.1669
Loa Loa (eye worm)	hypothetical protein	0.1112	0.9715	0.9711
Giardia lamblia	Kinase, CMGC CDK	0.0608	0.4806	0.4813
Trypanosoma cruzi	cdc2-related kinase 3	0.0608	0.4806	0.2034
Entamoeba histolytica	hypothetical protein	0.1141	1	1
Trypanosoma brucei	cdc2-related kinase 1	0.0608	0.4806	0.1669
Loa Loa (eye worm)	hypothetical protein	0.0262	0.1445	0.1346
Trichomonas vaginalis	CMGC family protein kinase	0.0608	0.4806	0.4813
Plasmodium vivax	protein kinase Crk2	0.0608	0.4806	0.4813
Trypanosoma brucei	cdc2-related kinase 3	0.0608	0.4806	0.1669
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.1141	1	1
Brugia malayi	casein kinase 1, delta	0.0501	0.3766	0.3694
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0608	0.4806	0.1669
Echinococcus granulosus	casein kinase I delta	0.0501	0.3766	0.3218
Entamoeba histolytica	protein kinase domain containing protein	0.1141	1	1
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0723	0.5928	1
Trypanosoma cruzi	casein kinase, putative	0.0501	0.3766	0.0438
Echinococcus granulosus	dual specificity	0.1141	1	1
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0723	0.5928	0.557
Echinococcus granulosus	casein kinase I delta	0.0501	0.3766	0.3218
Echinococcus granulosus	protein kinase shaggy	0.0723	0.5928	0.557
Giardia lamblia	Kinase, CMGC GSK	0.0723	0.5928	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0247	0.1299	0.0535
Loa Loa (eye worm)	hypothetical protein	0.0578	0.4521	0.4458
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0608	0.4806	0.4746
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.0807	0.0701
Leishmania major	protein kinase, putative,dual-specificity protein kinase, putative	0.0525	0.4005	0.0384
Brugia malayi	casein kinase I	0.0501	0.3766	0.3694
Entamoeba histolytica	protein kinase, putative	0.0525	0.4005	0.0384
Loa Loa (eye worm)	CK1/CK1/CK1-D protein kinase	0.0501	0.3766	0.3694
Trypanosoma cruzi	dual specificity tyrosine-phosphorylation-regulated kinase 2, putative	0.0525	0.4005	0.0805
Entamoeba histolytica	protein kinase, putative	0.1141	1	1
Echinococcus multilocularis	geminin	0.0205	0.0884	0.0083
Schistosoma mansoni	lipoxygenase	0.0247	0.1299	0.0802
Trypanosoma cruzi	casein kinase, delta isoform, putative	0.0501	0.3766	0.0438
Schistosoma mansoni	serine/threonine protein kinase	0.0525	0.4005	0.3663
Entamoeba histolytica	protein kinase domain containing protein	0.0723	0.5928	0.3468
Brugia malayi	Protein kinase domain containing protein	0.0608	0.4806	0.4746
Echinococcus multilocularis	dual specificity	0.1141	1	1
Echinococcus granulosus	dual specificity	0.0525	0.4005	0.3479
Trypanosoma cruzi	casein kinase, putative	0.0501	0.3766	0.0438
Echinococcus multilocularis	cyclin dependent kinase 5	0.0608	0.4806	0.435
Echinococcus multilocularis	casein kinase I alpha	0.0501	0.3766	0.3218
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.1141	1	1
Entamoeba histolytica	protein kinase, putative	0.1141	1	1
Trypanosoma cruzi	casein kinase, putative	0.0501	0.3766	0.0438
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0608	0.4806	0.4746
Echinococcus granulosus	cyclin dependent kinase 5 activator 1	0.0262	0.1445	0.0693
Echinococcus granulosus	casein kinase I alpha	0.0501	0.3766	0.3218
Brugia malayi	cell division control protein 2 homolog	0.0608	0.4806	0.4746
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.0807	0.0701
Echinococcus multilocularis	cyclin dependent kinase 5 activator 1	0.0262	0.1445	0.0693
Loa Loa (eye worm)	CK1/CK1/CK1-A protein kinase	0.0501	0.3766	0.3694
Trypanosoma cruzi	cdc2-related kinase 1	0.0608	0.4806	0.2034
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0608	0.4806	0.1669
Schistosoma mansoni	hypothetical protein	0.0205	0.0884	0.0363
Schistosoma mansoni	lipoxygenase	0.0173	0.0575	0.0036
Schistosoma mansoni	cyclin-dependent kinase 5 activator	0.0262	0.1445	0.0956
Echinococcus granulosus	cyclin dependent kinase	0.0608	0.4806	0.435
Echinococcus granulosus	casein kinase I alpha	0.0501	0.3766	0.3218
Toxoplasma gondii	cell-cycle-associated protein kinase DYRK2, putative	0.0525	0.4005	0.1108
Entamoeba histolytica	protein kinase, putative	0.0723	0.5928	0.3468
Echinococcus multilocularis	casein kinase I alpha	0.0501	0.3766	0.3218
Schistosoma mansoni	serine/threonine protein kinase	0.0608	0.4806	0.4509
Echinococcus multilocularis	cyclin dependent kinase 1	0.0608	0.4806	0.435
Echinococcus granulosus	casein kinase i	0.0501	0.3766	0.3218
Entamoeba histolytica	protein kinase domain containing protein	0.0723	0.5928	0.3468
Trichomonas vaginalis	CMGC family protein kinase	0.0723	0.5928	1
Trichomonas vaginalis	CMGC family protein kinase	0.0608	0.4806	0.4813
Trypanosoma cruzi	casein kinase, putative	0.0501	0.3766	0.0438
Brugia malayi	intracellular kinase	0.0723	0.5928	0.5881
Echinococcus multilocularis	dual specificity	0.0525	0.4005	0.3479
Giardia lamblia	Kinase, CMGC CDK	0.0608	0.4806	0.4813
Trichomonas vaginalis	CMGC family protein kinase	0.0525	0.4005	0.1108

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.0323 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.2753 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (binding)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1601115

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 1438990