TDR Targets

Basic information

Technical information

TDR Targets ID: 1471730
Name: 2-(1-ethyl-2,4-dioxo-5,6,7,8-tetrahydro-[1]be nzothiolo[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-y lmethyl)acetamide
MW: 391.485 | Formula: C19H25N3O4S
H donors: 1 H acceptors: 3 LogP: 2.17 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCn1c2sc3c(c2c(=O)n(c1=O)CC(=O)NCC1CCCO1)CCCC3
InChi: 1S/C19H25N3O4S/c1-2-21-18-16(13-7-3-4-8-14(13)27-18)17(24)22(19(21)25)11-15(23)20-10-12-6-5-9-26-12/h12H,2-11H2,1H3,(H,20,23)
InChiKey: WGSOTFUWOHCATF-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

2-(1-ethyl-2,4-dioxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)-N-(tetrahydrofuran-2-ylmethyl)acetamide
2-(1-ethyl-2,4-dioxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)-N-(2-tetrahydrofuranylmethyl)acetamide
2-(1-ethyl-2,4-diketo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)-N-(tetrahydrofurfuryl)acetamide
2-(1-ethyl-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)-N-(oxolan-2-ylmethyl)ethanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0212	1	0.5
Echinococcus multilocularis	peroxidasin	0.0212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Echinococcus granulosus	GPCR family 2	0.0052	0.179	0.179
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0017	0	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1964	0.1964
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0052	0.179	0.179
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0164	0.7524	0.7524
Brugia malayi	RNA recognition motif domain containing protein	0.0068	0.2601	0.2601
Brugia malayi	Peroxidasin	0.0212	1	1
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0017	0	0.5
Echinococcus granulosus	peroxidasin	0.0212	1	1
Brugia malayi	TAR-binding protein	0.0068	0.2601	0.2601
Brugia malayi	Animal haem peroxidase family protein	0.0212	1	1
Loa Loa (eye worm)	TAR-binding protein	0.0068	0.2601	0.2601
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0017	0	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1964	0.1964
Loa Loa (eye worm)	hypothetical protein	0.0112	0.487	0.487
Schistosoma mansoni	hypothetical protein	0.0052	0.179	0.179
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0052	0.179	0.179
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1964	0.1964
Onchocerca volvulus	Peroxidase homolog	0.0212	1	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0164	0.7524	0.7524
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0017	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0212	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0112	0.487	0.487
Loa Loa (eye worm)	blistered cuticle protein 3	0.0212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Onchocerca volvulus	Peroxidasin homolog	0.0212	1	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.2601	0.2601
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0052	0.179	0.179
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1964	0.1964
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1964	0.1964
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0164	0.7524	0.7524
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Loa Loa (eye worm)	animal heme peroxidase	0.0212	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0212	1	1
Onchocerca volvulus	Peroxidase homolog	0.0212	1	0.5
Echinococcus multilocularis	GPCR, family 2	0.0052	0.179	0.179
Onchocerca volvulus		0.0212	1	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0052	0.179	0.179
Schistosoma mansoni	hypothetical protein	0.0052	0.179	0.179
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1964	0.1964
Loa Loa (eye worm)	RNA binding protein	0.0068	0.2601	0.2601
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.2601	0.2601
Brugia malayi	Blistered cuticle protein 3	0.0212	1	1
Schistosoma mansoni	hypothetical protein	0.0112	0.487	0.487
Loa Loa (eye worm)	hypothetical protein	0.0164	0.7524	0.7524
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0	0.5
Onchocerca volvulus		0.0212	1	0.5
Schistosoma mansoni	peroxidasin	0.0212	1	1
Schistosoma mansoni	peroxidasin	0.0212	1	1
Echinococcus multilocularis	tar DNA binding protein	0.0068	0.2601	0.2601
Schistosoma mansoni	hypothetical protein	0.0052	0.179	0.179
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1964	0.1964
Brugia malayi	Animal haem peroxidase family protein	0.0212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0052	0.179	0.179
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0052	0.179	0.179
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1964	0.1964
Brugia malayi	RNA binding protein	0.0068	0.2601	0.2601
Onchocerca volvulus	Chorion peroxidase homolog	0.0212	1	0.5
Onchocerca volvulus	Peroxidasin homolog	0.0212	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0212	1	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0052	0.179	0.179
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Onchocerca volvulus	Dual oxidase homolog	0.0212	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.2601	0.2601
Loa Loa (eye worm)	animal heme peroxidase	0.0212	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.2601	0.2601
Schistosoma mansoni	tar DNA-binding protein	0.0068	0.2601	0.2601
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0068	0.2601	0.2601
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0017	0	0.5
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0052	0.179	0.179
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1964	0.1964
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0017	0	0.5
Echinococcus granulosus	tar DNA binding protein	0.0068	0.2601	0.2601
Loa Loa (eye worm)	animal heme peroxidase	0.0212	1	1
Loa Loa (eye worm)	hypothetical protein	0.0212	1	1
Brugia malayi	Animal haem peroxidase family protein	0.0212	1	1
Schistosoma mansoni	hypothetical protein	0.0052	0.179	0.179
Toxoplasma gondii	isocitrate dehydrogenase	0.0017	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.631 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	14.1254 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.526 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)	20.5962 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)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1558645

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 1471730