TDR Targets

Basic information

Technical information

TDR Targets ID: 1519506
Name: 2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]deca n-3-yl)-N-(1-phenylethyl)acetamide
MW: 343.42 | Formula: C19H25N3O3
H donors: 2 H acceptors: 3 LogP: 2.42 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(CN1C(=O)NC2(C1=O)CCCCC2C)NC(c1ccccc1)C
InChi: 1S/C19H25N3O3/c1-13-8-6-7-11-19(13)17(24)22(18(25)21-19)12-16(23)20-14(2)15-9-4-3-5-10-15/h3-5,9-10,13-14H,6-8,11-12H2,1-2H3,(H,20,23)(H,21,25)
InChiKey: QLPZNVIBBOOWBS-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-(2,4-diketo-6-methyl-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-phenylethyl)acetamide
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(1-phenylethyl)ethanamide
T5273682

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	Rap guanine nucleotide exchange factor (GEF) 3	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	Get druggable targets OG5_131726	All targets in OG5_131726
Brugia malayi	N-terminal motif family protein	Get druggable targets OG5_131726	All targets in OG5_131726
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131726	All targets in OG5_131726

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
Brugia malayi	Papain family cysteine protease containing protein	0.0011	0.0014	0.0014
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0314	0.0314
Loa Loa (eye worm)	fibroinase	0.0022	0.0314	0.0314
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0314	0.0314
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Trichomonas vaginalis	diaminopimelate decarboxylase, putative	0.0161	0.4267	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0022	0.0314	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0314	0.0705
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0022	0.0314	1
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0363	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.0314	0.0705
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0109	0.0109
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0011	0.0014	0.0014
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0011	0.0014	0.0014
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.0314	0.0705
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0022	0.0314	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0022	0.0314	1
Brugia malayi	N-terminal motif family protein	0.0218	0.589	0.589
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.0314	0.0314
Loa Loa (eye worm)	pyridoxal-dependent decarboxylase	0.0161	0.4267	0.4267
Echinococcus granulosus	cysteine protease	0.0011	0.0014	0.0443
Entamoeba histolytica	cysteine proteinase, putative	0.0015	0.0109	0.0224
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.0314	0.0314
Giardia lamblia	Ornithine decarboxylase	0.0161	0.4267	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.0314	0.0314
Echinococcus granulosus	cathepsin l1	0.0022	0.0314	1
Entamoeba histolytica	cysteine protease, putative	0.0022	0.0314	0.0705
Echinococcus granulosus	cathepsin L	0.0011	0.0014	0.0443
Onchocerca volvulus		0.0015	0.0109	0.0109
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0218	0.589	0.589
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0314	0.0705
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0314	0.0705
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0015	0.0109	0.3182
Onchocerca volvulus		0.0022	0.0314	0.0314
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0314	0.0705
Trichomonas vaginalis	pyridoxal-dependent decarboxylase, putative	0.0161	0.4267	1
Onchocerca volvulus		0.0363	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0314	0.0705
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0314	0.0705
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0109	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0109	0.0109
Echinococcus multilocularis	cysteine protease	0.0022	0.0314	1
Trichomonas vaginalis	ornithine decarboxylase, putative	0.0161	0.4267	1
Onchocerca volvulus		0.0022	0.0314	0.0314
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0314	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Onchocerca volvulus		0.0161	0.4267	0.4267
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0314	0.0705
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.1459	0.3398
Loa Loa (eye worm)	hypothetical protein	0.0218	0.589	0.589
Loa Loa (eye worm)	ctsf protein	0.0022	0.0314	0.0314
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0109	0.0109
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0314	0.0705
Schistosoma mansoni	tyrosinase precursor	0.0363	1	1
Brugia malayi	cathepsin L-like precursor	0.0015	0.0109	0.0109
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0314	0.0705
Onchocerca volvulus		0.0363	1	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0011	0.0014	0.0443
Onchocerca volvulus		0.0363	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0022	0.0314	0.0314
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0011	0.0014	0.0014
Onchocerca volvulus		0.0022	0.0314	0.0314
Plasmodium vivax	vivapain-2	0.0022	0.0314	0.0705
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0314	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0109	0.0109
Entamoeba histolytica	ornithine decarboxylase, putative	0.0161	0.4267	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0314	0.0705
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0022	0.0314	0.0705
Onchocerca volvulus		0.0022	0.0314	0.0314
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.0314	0.0705
Mycobacterium ulcerans	diaminopimelate decarboxylase LysA	0.0161	0.4267	0.5
Brugia malayi	Hypothetical tyrosinase-like protein F21C3.2 in chromosome I	0.0363	1	1
Brugia malayi	Pyridoxal-dependent decarboxylase, pyridoxal binding domain containing protein	0.0161	0.4267	0.4267
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0314	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Onchocerca volvulus		0.0363	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0022	0.0314	1
Toxoplasma gondii	diaminopimelate decarboxylase	0.0161	0.4267	1
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0314	0.0314
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0015	0.0109	0.0109
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0109	0.0109
Loa Loa (eye worm)	cysteine protease	0.0022	0.0314	0.0314
Trypanosoma brucei	ornithine decarboxylase	0.0161	0.4267	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0022	0.0314	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0314	0.0705
Mycobacterium tuberculosis	Diaminopimelate decarboxylase LysA (DAP decarboxylase)	0.0161	0.4267	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0314	1
Echinococcus multilocularis	cysteine protease	0.0022	0.0314	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0314	0.0705
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Onchocerca volvulus		0.0022	0.0314	0.0314
Onchocerca volvulus		0.0022	0.0314	0.0314
Brugia malayi	Common central domain of tyrosinase family protein	0.0363	1	1
Trichomonas vaginalis	diaminopimelate decarboxylase, putative	0.0161	0.4267	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0022	0.0314	0.0314
Trypanosoma cruzi	cruzipain precursor, putative	0.0022	0.0314	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0314	0.0314
Loa Loa (eye worm)	ShTK domain-containing protein	0.0363	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0109	0.0224
Onchocerca volvulus		0.0022	0.0314	0.0314
Brugia malayi	Papain family cysteine protease containing protein	0.0022	0.0314	0.0314
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0022	0.0314	0.0705
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0363	1	1
Echinococcus granulosus	cathepsin l1	0.0015	0.0109	0.3484
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0314	0.0705
Plasmodium vivax	vivapain-2	0.0022	0.0314	0.0705
Brugia malayi	Hypothetical tyrosinase-like protein C02C2.1 in chromosome III	0.0363	1	1
Loa Loa (eye worm)	tyrosinase 1	0.0363	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0022	0.0314	0.0705
Loa Loa (eye worm)	hypothetical protein	0.0363	1	1
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0314	0.0314
Brugia malayi	Papain family cysteine protease containing protein	0.0011	0.0014	0.0014
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0314	0.0705
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.0314	0.0314
Loa Loa (eye worm)	ShTK domain-containing protein	0.0363	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.0314	0.0705
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0314	0.0705
Onchocerca volvulus	Cathepsin F homolog	0.0022	0.0314	0.0314
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0314	0.0705
Mycobacterium leprae	PROBABLE DIAMINOPIMELATE DECARBOXYLASE LYSA (DAP DECARBOXYLASE)	0.0062	0.1459	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0015	0.0109	0.0109
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0314	0.0705
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0314	0.0314
Toxoplasma gondii	cathepsin CPL	0.0022	0.0314	0.0736
Echinococcus multilocularis	cathepsin L	0.0011	0.0014	0.0443
Loa Loa (eye worm)	hypothetical protein	0.0363	1	1
Plasmodium falciparum	S-adenosylmethionine decarboxylase/ornithine decarboxylase	0.0161	0.4267	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0314	0.0705
Plasmodium vivax	S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative	0.0161	0.4267	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0314	0.0705
Schistosoma mansoni	tyrosinase precursor	0.0363	1	1
Leishmania major	ornithine decarboxylase, putative	0.0161	0.4267	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0314	0.0705
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0314	0.0705
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0314	0.0314
Trichomonas vaginalis	ornithine decarboxylase, putative	0.0057	0.1328	0.309
Trichomonas vaginalis	ornithine decarboxylase, putative	0.0161	0.4267	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.9185 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	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: CHEMBL1709149

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 1519506