TDR Targets

Basic information

Technical information

TDR Targets ID: 1549115
Name: 6-butyl-6a-methyl-2,3,3a,4-tetrahydrofuro[3,2 -d]pyrrol-5-one
MW: 197.274 | Formula: C11H19NO2
H donors: 0 H acceptors: 1 LogP: 1.27 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CCCCN1C(=O)CC2C1(C)OCC2
InChi: 1S/C11H19NO2/c1-3-4-6-12-10(13)8-9-5-7-14-11(9,12)2/h9H,3-8H2,1-2H3
InChiKey: GWGSYCFBPYKSGN-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

17951-87-0
NSC134785

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
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.0238	0.0157
Trypanosoma cruzi	serine carboxypeptidase S28, putative	0.0042	0.1931	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.0238	0.0157
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.027	0.027
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0042	0.1931	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.0238	0.0157
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0082	0.0082
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.0238	0.0238
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.0238	0.0157
Schistosoma mansoni	family S28 unassigned peptidase (S28 family)	0.0042	0.1931	0.1931
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0238	0.0157
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.0238	0.0238
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.1912	0.1912
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0082	0.0082
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.1931	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0238	0.0157
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.0238	0.0157
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.0238	0.0157
Trichomonas vaginalis	prolylcarboxypeptidase, putative	0.0042	0.1931	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0238	0.0157
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.0238	0.0157
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0238	0.0157
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0082	0.0082
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.0238	0.0238
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0042	0.1931	1
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.0238	0.0238
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0042	0.1931	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.0238	0.0157
Trypanosoma cruzi	serine carboxypeptidase S28, putative	0.0042	0.1931	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.027	0.027
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.0238	0.0157
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.0238	0.0157
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.0238	0.0157
Brugia malayi	ecdysteroid receptor	0.001	0.0238	0.0157
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0007	0.0082	0.0082
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.0238	0.0157
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0042	0.1931	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0238	0.0157
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.0042	0.1931	0.1864
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0238	0.0157
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0042	0.1931	1
Echinococcus granulosus	voltage gated potassium channel	0.0011	0.027	0.019
Schistosoma mansoni	nuclear hormone receptor	0.001	0.0238	0.0238
Loa Loa (eye worm)	hypothetical protein	0.001	0.0238	0.0157
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0011	0.027	0.019
Loa Loa (eye worm)	hypothetical protein	0.0033	0.1454	0.1383
Echinococcus multilocularis	voltage gated potassium channel	0.0011	0.027	0.019
Loa Loa (eye worm)	hypothetical protein	0.001	0.0238	0.0157
Echinococcus granulosus	FTZ F1 alpha	0.001	0.0238	0.0157
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.0238	0.0157
Onchocerca volvulus		0.0042	0.1931	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0011	0.027	0.019
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0042	0.1931	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.0238	0.0157
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0238	0.0238
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0042	0.1931	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.0238	0.0157
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.0238	0.0157
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.0238	0.0157
Schistosoma mansoni	voltage-gated potassium channel	0.0041	0.1912	0.1912
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.0238	0.0157
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0038	0.1724	0.1655
Entamoeba histolytica	serine carboxypeptidase (S28) family protein	0.0042	0.1931	0.5
Giardia lamblia	Thymus-specific serine protease precursor	0.0042	0.1931	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.0238	0.0157
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.1931	1
Loa Loa (eye worm)	hypothetical protein	0.0191	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.0238	0.0157
Entamoeba histolytica	serine carboxypeptidase (S28) family protein	0.0042	0.1931	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.1589	0.8151
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.0238	0.0157
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0042	0.1931	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0035	0.1589	0.8151
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.0238	0.0157
Loa Loa (eye worm)	hypothetical protein	0.001	0.0238	0.0157
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.0238	0.0157
Brugia malayi	nuclear receptor NHR-88	0.001	0.0238	0.0157
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.0238	0.0157
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.0238	0.0157
Schistosoma mansoni	lysosomal Pro-Xaa carboxypeptidase (S28 family)	0.0191	1	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0007	0.0082	0.0082
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0042	0.1931	1
Brugia malayi	steroid hormone receptor	0.001	0.0238	0.0157
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.0238	0.0157
Schistosoma mansoni	thyroid hormone receptor	0.001	0.0238	0.0238
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.0238	0.0157
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.0238	0.0157
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.0238	0.0157
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.0238	0.0157
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0038	0.1724	0.1655
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.0238	0.0157
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.0238	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1931	0.1864
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.0238	0.0238
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0038	0.1724	0.1655
Trichomonas vaginalis	prolylcarboxypeptidase, putative	0.0042	0.1931	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0238	0.0157
Brugia malayi	Serine protease Z688.6 precursor	0.0042	0.1931	0.1864
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.0191	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0238	0.0157
Trypanosoma cruzi	putative prolyl carboxypeptidase, putative	0.0042	0.1931	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0238	0.0157
Loa Loa (eye worm)	hypothetical protein	0.001	0.0238	0.0157
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.0238	0.0238
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.0238	0.0157
Echinococcus multilocularis	Lysosomal Pro X carboxypeptidase	0.0191	1	1
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0042	0.1931	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0038	0.1724	0.1655
Echinococcus granulosus	Lysosomal Pro X carboxypeptidase	0.0042	0.1931	0.1864
Schistosoma mansoni	coup transcription factor	0.001	0.0238	0.0238
Toxoplasma gondii	serine carboxypeptidase s28 protein	0.0042	0.1931	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.0238	0.0238
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.0238	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0191	1	1
Brugia malayi	nuclear hormone receptor	0.001	0.0238	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0191	1	1
Trichomonas vaginalis	lysosomal pro-X carboxypeptidase, putative	0.0042	0.1931	1
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0007	0.0082	0.0082
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.0238	0.0157
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.0238	0.0157
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0042	0.1931	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.027	0.019
Giardia lamblia	Serine peptidase, putative	0.0042	0.1931	0.5
Trichomonas vaginalis	Clan SC, family S28, unassigned serine peptidase	0.0042	0.1931	1
Brugia malayi	Serine protease Z688.6 precursor	0.0042	0.1931	0.1864
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.0238	0.0157
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0011	0.027	0.019
Entamoeba histolytica	serine carboxypeptidase (S28) family protein	0.0042	0.1931	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.0238	0.0157

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	35.4813 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

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: CHEMBL1880527

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1549115