TDR Targets

Basic information

Technical information

TDR Targets ID: 1708999
Name: 3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-1-met hyl-1,3-diazaspiro[4.5]decane-2,4-dione
MW: 344.362 | Formula: C18H20N2O5
H donors: 0 H acceptors: 3 LogP: 2.15 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc2c(c1)OCO2)CN1C(=O)N(C2(C1=O)CCCCC2)C
InChi: 1S/C18H20N2O5/c1-19-17(23)20(16(22)18(19)7-3-2-4-8-18)10-13(21)12-5-6-14-15(9-12)25-11-24-14/h5-6,9H,2-4,7-8,10-11H2,1H3
InChiKey: MKFWAIJQAPCBEU-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-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
3-[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]-1-methyl-1,3-diazaspiro[4.5]decane-2,4-quinone
T5572694
ZINC06006009

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
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
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	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
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
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
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

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
Brugia malayi	brahma associated protein 60 kDa	0.0104	1	1
Schistosoma mansoni	hypothetical protein	0.0104	1	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0104	1	1
Schistosoma mansoni	fusion	0.0037	0.2654	0.2107
Chlamydia trachomatis	DNA topoisomerase I	0.0104	1	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.2654	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0104	1	0.5
Loa Loa (eye worm)	brahma associated protein	0.0104	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.4672	0.4276
Loa Loa (eye worm)	hypothetical protein	0.006	0.5218	0.5218
Trypanosoma cruzi	WLM domain containing protein, putative	0.0037	0.2654	1
Schistosoma mansoni	hypothetical protein	0.0041	0.3124	0.2611
Echinococcus multilocularis	SWI:SNF matrix associated	0.0104	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.4672	0.4276
Echinococcus granulosus	ring and YY1 binding protein	0.0037	0.2654	0.2107
Echinococcus multilocularis	zinc finger protein Ran binding	0.0037	0.2654	0.2107
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2654	0.2654
Leishmania major	hypothetical protein, conserved	0.0037	0.2654	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0037	0.2654	0.2107
Schistosoma mansoni	TRABID protein (C64 family)	0.0037	0.2654	0.2107
Echinococcus granulosus	SWI:SNF matrix associated	0.0104	1	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2654	0.2654
Echinococcus multilocularis	ring and YY1 binding protein	0.0037	0.2654	0.2107
Schistosoma mansoni	brg-1 associated factor	0.0104	1	1
Schistosoma mansoni	hypothetical protein	0.0104	1	1
Onchocerca volvulus		0.0104	1	1
Echinococcus granulosus	zinc finger protein Ran binding	0.0037	0.2654	0.2107
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0037	0.2654	0.2654
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2654	0.2654
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0037	0.2654	0.2107
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0104	1	1
Schistosoma mansoni	hypothetical protein	0.0037	0.2654	0.2107
Leishmania major	hypothetical protein, conserved	0.0037	0.2654	1
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0037	0.2654	0.2107
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2654	0.2654
Trypanosoma cruzi	WLM domain containing protein, putative	0.0037	0.2654	1
Schistosoma mansoni	hypothetical protein	0.0104	1	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.5218	0.5218
Leishmania major	hypothetical protein, conserved	0.0037	0.2654	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0104	1	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.5218	0.5218
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0037	0.2654	1
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0104	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.4672	0.4276
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0037	0.2654	1
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0037	0.2654	0.2107
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.4672	0.4276
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0037	0.2654	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0104	1	1
Schistosoma mansoni	zinc finger protein	0.0037	0.2654	0.2107
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.3124	0.3124
Chlamydia trachomatis	SWIB complex protein	0.0104	1	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0104	1	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0693	0.0693
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0013	0	0.5
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0104	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0104	1	0.5
Leishmania major	hypothetical protein, conserved	0.0037	0.2654	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0693	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2654	0.2654
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0037	0.2654	0.2654
Echinococcus multilocularis	SWI:SNF matrix associated	0.0104	1	1
Leishmania major	hypothetical protein, conserved	0.0037	0.2654	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0104	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0104	1	0.5
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0037	0.2654	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0104	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.5218	0.5218
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0693	0.0693
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.4672	0.4672
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.2654	1
Schistosoma mansoni	RNA binding protein	0.0037	0.2654	0.2107
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.4672	0.4276
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0037	0.2654	1
Brugia malayi	YY1-associated factor 2	0.0037	0.2654	0.2654
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.4672	0.4276
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.4672	0.4672
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0037	0.2654	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.2654	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0037	0.2654	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.4672	0.4276
Loa Loa (eye worm)	hypothetical protein	0.0041	0.3124	0.3124
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.2654	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0037	0.2654	0.2654
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0037	0.2654	0.2654
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.2654	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0693	0.0693

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.6234 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

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: CHEMBL2134399

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 1708999