TDR Targets

Basic information

Technical information

TDR Targets ID: 1465190
Name: 2-amino-5-ethyl-5-methyl-4,7-dihydrothieno[4, 5-d]pyran-3-carbonitrile
MW: 222.307 | Formula: C11H14N2OS
H donors: 1 H acceptors: 1 LogP: 2.39 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CCC1(C)OCc2c(C1)c(C#N)c(s2)N
InChi: 1S/C11H14N2OS/c1-3-11(2)4-7-8(5-12)10(13)15-9(7)6-14-11/h3-4,6,13H2,1-2H3
InChiKey: MWAZOYNUQVFXDA-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

EU-0078139
AE-848/15341066
Oprea1_433954

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
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0067	0.3838	1
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0067	0.3838	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0139	0.0177
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0067	0.3838	1
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0067	0.3838	0.3838
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0067	0.3838	1
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0067	0.3838	0.3838
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0044	0.2318	0.2966
Schistosoma mansoni	alkaline phosphatase	0.016	1	1
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0023	0.0949	0.1215
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0139	0.0177
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0139	0.0177
Schistosoma mansoni	hypothetical protein	0.0083	0.4922	0.4922
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0139	0.0177
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0139	0.0139
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.5449	0.5449
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.0067	0.3838	0.5
Echinococcus granulosus	alkaline phosphatase intestinal gene 2	0.016	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0139	0.5
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0067	0.3838	1
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.0067	0.3838	0.5
Echinococcus multilocularis	intestinal type alkaline phosphatase 1	0.016	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.5449	0.5449
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.5449	0.5449
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0177
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0139	0.0177
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0044	0.2315	0.4996
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0067	0.3838	1
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0139	0.0139
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0139	0.0139
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.5449	0.6972
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0139	0.0139
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0139	0.0177
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0044	0.2318	0.4737
Onchocerca volvulus		0.0011	0.0139	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0139	0.0177
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0139	0.0177
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0139	0.0139
Schistosoma mansoni	coup transcription factor	0.0011	0.0139	0.0139
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0139	0.0177
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0139	0.0139
Brugia malayi	ecdysteroid receptor	0.0011	0.0139	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0177
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0067	0.3838	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0067	0.3838	0.3838
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0139	0.0139
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0067	0.3838	0.3838
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0177
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0139	0.0177
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0067	0.3838	0.5
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0067	0.3838	1
Echinococcus granulosus	intestinal type alkaline phosphatase 1	0.016	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0127	0.7815	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0139	0.0177
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0177
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0044	0.2318	0.4737
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.0067	0.3838	0.5
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0139	0.5
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0044	0.2318	0.2318
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0067	0.3838	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0139	0.0139
Schistosoma mansoni	alkaline phosphatase	0.016	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0139	0.0177
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0067	0.3838	1
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0139	0.0139
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0067	0.3838	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0139	0.0139
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.0067	0.3838	0.5
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0139	0.0139
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0139	0.0139
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0046	0.2472	0.3163
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0067	0.3838	0.3838
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0139	0.0139
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0139	0.0139
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0139	0.0177
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0139	0.0139
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0067	0.3838	0.5
Brugia malayi	MH2 domain containing protein	0.0127	0.7815	1
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0067	0.3838	0.3838
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0139	0.0139
Treponema pallidum	glyceraldehyde 3-phosphate dehydrogenase (gap)	0.0067	0.3838	0.5
Echinococcus multilocularis	alkaline phosphatase, intestinal, gene 2	0.016	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.5449	0.5449
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0139	0.0177
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0139	0.0139
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0067	0.3838	0.4912
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0139	0.0177
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0044	0.2318	0.2966
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0139	0.0139
Echinococcus multilocularis	alkaline phosphatase	0.016	1	1
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0044	0.2315	0.4996
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.0067	0.3838	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.5449	0.5449
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.5449	0.5449
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0139	0.0139
Mycobacterium leprae	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0023	0.0952	0.5
Echinococcus multilocularis	intestinal type alkaline phosphatase	0.016	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0139	0.0139
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0067	0.3838	1
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.0067	0.3838	1
Mycobacterium ulcerans	glyceraldehyde 3-phosphate dehydrogenase Gap	0.0067	0.3838	0.5
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.0067	0.3838	0.3838
Brugia malayi	glyceraldehyde 3-phosphate dehydrogenase	0.0021	0.0795	0.1017
Brugia malayi	steroid hormone receptor	0.0011	0.0139	0.0177
Loa Loa (eye worm)	transcription factor SMAD2	0.0127	0.7815	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.0067	0.3838	1
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0067	0.3838	1
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0139	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0139	0.0139
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0139	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0139	0.0177
Brugia malayi	nuclear hormone receptor	0.0011	0.0139	0.0177
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0067	0.3838	0.5
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0067	0.3838	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0139	0.0139
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.5449	0.6972
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0139	0.0139
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0139	0.0177
Echinococcus granulosus	alkaline phosphatase	0.016	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.5449	0.5449
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.0067	0.3838	0.5
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.0067	0.3838	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0139	0.0177
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0139	0.0139
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0139	0.0177
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0139	0.0139
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0139	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0139	0.0177
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0067	0.3838	0.5
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0139	0.0139
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0044	0.2318	0.2318
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0139	0.0139
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0067	0.3838	0.3838
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0139	0.0177
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0044	0.2318	0.2966
Mycobacterium tuberculosis	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0023	0.0952	0.5
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0046	0.2472	0.3163
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0139	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0139	0.0177

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Binding affinity to substrate binding site of multidrug resistance Mycobacterium tuberculosis antigen 85C by NMR assay	ChEMBL.	21073150

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: CHEMBL1632445

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1465190