TDR Targets

Basic information

Technical information

TDR Targets ID: 1535537
Name: N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan -3-yl)acetyl]phenyl]hexanamide
MW: 413.51 | Formula: C23H31N3O4
H donors: 2 H acceptors: 4 LogP: 3.78 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCC(=O)Nc1ccc(cc1)C(=O)CN1C(=O)NC2(C1=O)CCCCCC2
InChi: 1S/C23H31N3O4/c1-2-3-6-9-20(28)24-18-12-10-17(11-13-18)19(27)16-26-21(29)23(25-22(26)30)14-7-4-5-8-15-23/h10-13H,2-9,14-16H2,1H3,(H,24,28)(H,25,30)
InChiKey: QKSWWJZDSIJKIE-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

N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)-1-oxoethyl]phenyl]hexanamide
N-[4-[2-(2,4-diketo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]phenyl]hexanamide
N-[4-[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)ethanoyl]phenyl]hexanamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Plasmodium vivax	heat shock protein 90, putative	0.0031	0.05	0.0041
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0125	0.4632	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0125	0.4632	1
Echinococcus granulosus	heat shock protein	0.0046	0.1183	0.0792
Schistosoma mansoni	heat shock protein	0.0031	0.05	0.0034
Echinococcus multilocularis	geminin	0.0205	0.8149	0.8057
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0031	0.05	0.0027
Schistosoma mansoni	endoplasmin	0.0046	0.1183	0.0924
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.1183	1
Echinococcus granulosus	endoplasmin	0.0043	0.1058	0.0661
Trypanosoma cruzi	heat shock protein 90, putative	0.004	0.0889	0.7515
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.1058	0.0779
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1183	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0046	0.1183	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.1247	0.0858
Trypanosoma cruzi	heat shock protein 85, putative	0.004	0.0889	0.7515
Echinococcus granulosus	geminin	0.0205	0.8149	0.8067
Trichomonas vaginalis	heat shock protein, putative	0.0034	0.0625	0.0315
Trypanosoma brucei	heat shock protein 90, putative	0.0046	0.1183	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0125	0.4632	0.5418
Schistosoma mansoni	hypothetical protein	0.0205	0.8149	1
Loa Loa (eye worm)	endoplasmin	0.0046	0.1183	0.0745
Plasmodium falciparum	mitochondrial import inner membrane translocase subunit TIM10, putative	0.005	0.1339	0.1542
Trichomonas vaginalis	heat shock protein, putative	0.0043	0.1058	0.0779
Plasmodium vivax	heat shock protein, putative	0.0175	0.6864	1
Trichomonas vaginalis	heat shock protein, putative	0.004	0.0889	0.0598
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1183	1
Toxoplasma gondii	heat shock protein 75, putative	0.0031	0.05	0.0041
Entamoeba histolytica	heat shock protein 90, putative	0.0046	0.1183	1
Entamoeba histolytica	heat shock protein 90, putative	0.0046	0.1183	1
Plasmodium falciparum	heat shock protein 90	0.0046	0.1183	0.1305
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.1247	0.0811
Schistosoma mansoni	aldehyde dehydrogenase	0.0125	0.4632	0.5418
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Toxoplasma gondii	aldehyde dehydrogenase	0.0125	0.4632	0.6508
Trypanosoma cruzi	Heat shock protein 83, putative	0.0046	0.1183	1
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1247	0.1007
Treponema pallidum	heat shock protein 90	0.0043	0.1058	0.5
Echinococcus granulosus	heat shock protein 90	0.004	0.0889	0.0485
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.1247	0.0858
Schistosoma mansoni	hypothetical protein	0.005	0.1361	0.1156
Echinococcus granulosus	expressed protein	0.005	0.1339	0.0954
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0125	0.4632	1
Schistosoma mansoni	heat shock protein	0.0046	0.1183	0.0924
Loa Loa (eye worm)	hypothetical protein	0.0247	1	1
Echinococcus granulosus	heat shock protein 90	0.0046	0.1183	0.0792
Onchocerca volvulus		0.0239	0.9672	1
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.1247	0.0811
Trypanosoma brucei	heat shock protein 90, putative	0.0046	0.1183	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.021	0.8395	0.8315
Trichomonas vaginalis	endoplasmin, putative	0.0034	0.0625	0.0315
Echinococcus multilocularis	endoplasmin	0.0043	0.1058	0.0614
Brugia malayi	heat shock protein 90	0.0046	0.1183	0.0745
Echinococcus multilocularis	heat shock protein 90	0.004	0.0889	0.0436
Trichomonas vaginalis	heat shock protein, putative	0.0046	0.1183	0.0913
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0031	0.05	0.0028
Loa Loa (eye worm)	heat shock protein 75	0.0031	0.05	0.0027
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1183	1
Plasmodium falciparum	endoplasmin, putative	0.0034	0.0625	0.045
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1183	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.1361	0.0931
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0125	0.4632	1
Brugia malayi	Endoplasmin precursor	0.0046	0.1183	0.0745
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Echinococcus multilocularis	heat shock protein 90	0.0046	0.1183	0.0745
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0474	0.0051
Toxoplasma gondii	heat shock protein 90, putative	0.0046	0.1183	0.111
Toxoplasma gondii	mitochondrial import inner membrane translocase subunit TIM10, putative	0.005	0.1339	0.1353
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0125	0.4632	0.4394
Schistosoma mansoni	hypothetical protein	0.0205	0.8149	1
Echinococcus granulosus	survival motor neuron protein 1	0.0247	1	1
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1183	1
Brugia malayi	Hsp90 protein	0.0031	0.05	0.0027
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1247	0.1007
Trypanosoma brucei	Heat shock protein 83, putative	0.0046	0.1183	1
Echinococcus multilocularis	heat shock protein	0.0046	0.1183	0.0745
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0043	0.1058	0.5
Onchocerca volvulus		0.005	0.1361	0.0964
Echinococcus multilocularis	survival motor neuron protein 1	0.0247	1	1
Schistosoma mansoni	mitochondrial import inner membrane translocase subunit tim10	0.005	0.1339	0.1127
Plasmodium vivax	endoplasmin, putative	0.0046	0.1183	0.111
Schistosoma mansoni	survival motor neuron protein	0.005	0.1361	0.1156
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.1247	0.1007
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.1183	1
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Loa Loa (eye worm)	heat shock protein 90	0.0046	0.1183	0.0745
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0125	0.4632	1
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0031	0.05	0.0078
Schistosoma mansoni	heat shock protein	0.0046	0.1183	0.0924
Trypanosoma cruzi	heat shock protein 85, putative	0.0046	0.1183	1
Brugia malayi	Mitochondrial import inner membrane translocase subunit TIM10	0.005	0.1339	0.0908
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1183	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0043	0.1058	0.5
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Plasmodium vivax	mitochondrial import inner membrane translocase subunit TIM10, putative	0.005	0.1339	0.1353
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Echinococcus multilocularis	expressed protein	0.005	0.1339	0.0908
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.1247	0.0811
Toxoplasma gondii	Hsp90 domain-containing protein	0.0175	0.6864	1
Trichomonas vaginalis	set domain proteins, putative	0.0239	0.9672	1
Schistosoma mansoni	endoplasmin	0.0046	0.1183	0.0924
Trypanosoma cruzi	heat shock protein, putative	0.0031	0.05	0.4226
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Brugia malayi	Pre-SET motif family protein	0.021	0.8395	0.8315
Loa Loa (eye worm)	transport to inner mitochondrial membrane family member	0.005	0.1339	0.0908
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1183	1
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.004	0.0889	0.0485
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0043	0.1058	0.1351
Toxoplasma gondii	heat shock protein HSP90	0.0046	0.1183	0.111
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Giardia lamblia	Grp94/Hsp90	0.0043	0.1058	0.5748
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Toxoplasma gondii	TIM10 family protein, putative	0.005	0.1339	0.1353
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0125	0.4632	0.4365
Trypanosoma cruzi	heat shock protein 90, putative	0.0046	0.1183	1
Plasmodium vivax	heat shock protein 86, putative	0.0046	0.1183	0.111
Leishmania major	heat shock protein 83-1	0.0046	0.1183	0.1654
Plasmodium falciparum	heat shock protein 90, putative	0.0175	0.6864	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.1247	0.0811
Trypanosoma brucei	heat shock protein, putative	0.0046	0.1183	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2909 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)	9.285 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)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	14.581 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	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: CHEMBL1886394

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 1535537