TDR Targets

Basic information

Technical information

TDR Targets ID: 71827
Name: 2-amino-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spir o[1,2-dihydroindene-3,4'-piperidine]-1'-ylpro pan-2-yl]-2-methylpropanamide
MW: 465.651 | Formula: C27H35N3O2S
H donors: 2 H acceptors: 2 LogP: 3.75 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C([C@H](NC(=O)C(N)(C)C)CSCc1ccccc1)N1CCC2(CC1)CCc1c2cccc1
InChi: 1S/C27H35N3O2S/c1-26(2,28)25(32)29-23(19-33-18-20-8-4-3-5-9-20)24(31)30-16-14-27(15-17-30)13-12-21-10-6-7-11-22(21)27/h3-11,23H,12-19,28H2,1-2H3,(H,29,32)/t23-/m1/s1
InChiKey: DWWXIVPOFAYHHV-HSZRJFAPSA-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-amino-N-[(1S)-1-(benzylsulfanylmethyl)-2-oxo-2-spiro[indane-1,4'-piperidine]-1'-yl-ethyl]-2-methyl-propanamide
2-amino-N-[(1S)-1-[(benzylthio)methyl]-2-oxo-2-(1'-spiro[indane-1,4'-piperidine]yl)ethyl]-2-methylpropanamide
2-azanyl-N-[(2S)-3-benzylsulfanyl-1-oxo-1-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl-propan-2-yl]-2-methyl-propanamide
2-amino-N-[(1S)-1-[(benzylthio)methyl]-2-keto-2-spiro[indane-1,4'-piperidine]-1'-yl-ethyl]-2-methyl-propionamide

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	nuclear receptor subfamily 1 group D	0.0006	0.0074	0.0074
Echinococcus multilocularis	potassium voltage gated channel protein	0.009	1	1
Echinococcus multilocularis	potassium voltage gated channel protein	0.0007	0.0247	0.0247
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0691	0.0691
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0691	0.0691
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0691	0.0691
Brugia malayi	nuclear hormone receptor	0.0011	0.0691	0.0691
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0691	0.0874
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0691	0.0691
Echinococcus granulosus	potassium voltage gated channel protein	0.0007	0.0247	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0074	0.0074
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0691	0.0691
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0691	0.0691
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0011	0.0691	0.0691
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0691	0.0691
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0691	0.0691
Echinococcus granulosus	voltage gated potassium channel	0.0007	0.0247	0.0247
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0691	0.0691
Schistosoma mansoni	thyroid hormone receptor	0.0011	0.0691	0.0691
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0006	0.0074	0.0074
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0691	0.0691
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0691	0.0691
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.009	1	1
Brugia malayi	hypothetical protein	0.0006	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0691	0.0691
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0691	0.0691
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0691	0.0691
Echinococcus multilocularis	voltage gated potassium channel	0.0007	0.0247	0.0247
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0691	0.0691
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0691	0.0691
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0691	0.0691
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0691	0.0691
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0691	0.0691
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0074	0.0074
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0006	0.0074	0.0074
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0691	0.0691
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.0007	0.0247	0.0247
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0691	0.0691
Brugia malayi	ecdysteroid receptor	0.0011	0.0691	0.0691
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0247	0.0247
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0691	0.0691
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0691	0.0691
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0691	0.0691
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0006	0.0074	0.0074
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0691	0.0691
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0691	0.0691
Schistosoma mansoni	vesicular amine transporter	0.0007	0.0247	0.0247
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0691	0.0691
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0691	0.0691
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0247	0.0247
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.0007	0.0247	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0007	0.0247	0.0247
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.0007	0.0247	0.0247
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0691	0.0691
Brugia malayi	hypothetical protein	0.0006	0.0074	0.0074
Echinococcus granulosus	Potassium voltage gated channel protein Shaw	0.0007	0.0247	0.0247
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0691	0.0691
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0691	0.0691
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0691	0.0691
Onchocerca volvulus		0.0072	0.7906	1
Schistosoma mansoni	voltage-gated potassium channel	0.009	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.009	1	1
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0691	0.0691
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0691	0.0691
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0074	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0074	0.0074
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0691	0.0691
Loa Loa (eye worm)	hypothetical protein	0.0006	0.0074	0.0074
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0691	0.0691
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0247	0.0247
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0691	0.0691
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0691	0.0691
Brugia malayi	nuclear receptor RXR	0.0006	0.0074	0.0074
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0691	0.0691
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.0007	0.0247	0.0247
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0691	0.0691
Echinococcus granulosus	potassium voltage gated channel protein	0.009	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0691	0.0691
Echinococcus multilocularis	potassium voltage gated channel subfamily C	0.0007	0.0247	0.0247
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog	0.0007	0.0247	0.0247
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0691	0.0691
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0691	0.0691
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0691	0.0691
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0691	0.0874
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0691	0.0691
Echinococcus multilocularis	shaker cognate	0.0007	0.0247	0.0247
Loa Loa (eye worm)	hypothetical protein	0.009	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0691	0.0691
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0691	0.0691
Echinococcus multilocularis	potassium voltage gated channel protein	0.0007	0.0247	0.0247
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0691	0.0874
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0691	0.0691
Echinococcus granulosus	potassium voltage gated channel subfamily C	0.0007	0.0247	0.0247
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0247	0.0247
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0691	0.0691
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0691	0.0691
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0691	0.0691
Brugia malayi	steroid hormone receptor	0.0011	0.0691	0.0691
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0691	0.0691
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0691	0.0691
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0691	0.0691
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0247	0.0247
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0691	0.0691
Schistosoma mansoni	voltage-gated potassium channel	0.0007	0.0247	0.0247
Loa Loa (eye worm)	voltage-gated potassium channel	0.0007	0.0247	0.0247
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0691	0.0691
Schistosoma mansoni	coup transcription factor	0.0011	0.0691	0.0691
Echinococcus granulosus	potassium voltage gated channel protein	0.0007	0.0247	0.0247
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0691	0.0691
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.0007	0.0247	0.0247
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.0086	0.9536	0.9536
Echinococcus granulosus	shaker cognate	0.0007	0.0247	0.0247
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0691	0.0691
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0691	0.0691
Echinococcus multilocularis	transfer RNA-Gly	0.0007	0.0247	0.0247
Brugia malayi	Nuclear hormone receptor-like 1	0.0006	0.0074	0.0074
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0691	0.0691
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0006	0.0074	0.0074
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0691	0.0691
Onchocerca volvulus		0.0011	0.0691	0.0874

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	= 0.065 uM	Compound was tested for intrinsic growth hormone(GH) secretory potency in the rat pituitary cell assay	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

PubChem: 22867469

Bibliographic References

No literature references available for this target.

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Detailed information for compound 71827