TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 212.289 | Formula: C11H20N2O2
H donors: 2 H acceptors: 2 LogP: -0.18 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O[C@@H]1CC[C@@H](C1)[C@@H](C(=O)N1CCCC1)N
InChi: 1S/C11H20N2O2/c12-10(8-3-4-9(14)7-8)11(15)13-5-1-2-6-13/h8-10,14H,1-7,12H2/t8-,9+,10-/m0/s1
InChiKey: RLRUUKVEWCZURX-AEJSXWLSSA-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	dipeptidyl-peptidase 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	dipeptidyl aminopeptidaseprotein	Get druggable targets OG5_128614	All targets in OG5_128614
Onchocerca volvulus	Dipeptidyl peptidase family member 1 homolog	Get druggable targets OG5_128614	All targets in OG5_128614
Brugia malayi	prolyl oligopeptidase family protein	Get druggable targets OG5_128614	All targets in OG5_128614
Candida albicans	dipeptidyl aminopeptidase B	Get druggable targets OG5_128614	All targets in OG5_128614
Loa Loa (eye worm)	prolyl oligopeptidase	Get druggable targets OG5_128614	All targets in OG5_128614
Candida albicans	dipeptidyl aminopeptidase B	Get druggable targets OG5_128614	All targets in OG5_128614
Echinococcus granulosus	dipeptidyl aminopeptidaseprotein	Get druggable targets OG5_128614	All targets in OG5_128614
Schistosoma japonicum	ko:K01278 dipeptidyl-peptidase 4, putative	Get druggable targets OG5_128614	All targets in OG5_128614
Schistosoma mansoni	subfamily S9B unassigned peptidase (S09 family)	Get druggable targets OG5_128614	All targets in OG5_128614

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
Schistosoma mansoni	RAR-like nuclear receptor	0.0717	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0717	1	1
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0338	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0717	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0717	1	1
Loa Loa (eye worm)	hypothetical protein	0.0338	0.2541	0.2541
Brugia malayi	ecdysone receptor	0.0338	0.2541	0.2541
Brugia malayi	nuclear receptor RXR	0.0338	0.2541	0.2541
Loa Loa (eye worm)	steroid hormone receptor	0.0717	1	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0717	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0717	1	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0338	0.2541	0.2541
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0717	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0717	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0717	1	1
Loa Loa (eye worm)	hypothetical protein	0.0338	0.2541	0.2541
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0717	1	1
Loa Loa (eye worm)	hypothetical protein	0.0338	0.2541	0.2541
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0379	0.3339	0.3339
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0717	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0717	1	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0717	1	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0338	0.2541	0.2541
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0338	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0717	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0717	1	1
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0379	0.3339	0.3339
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0338	0.2541	0.2541
Brugia malayi	hypothetical protein	0.0338	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0379	0.3339	0.3339
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0379	0.3339	0.3339
Echinococcus granulosus	thyroid hormone receptor alpha	0.0338	0.2541	0.2541
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0717	1	1
Brugia malayi	nuclear receptor RXR	0.0379	0.3339	0.3339
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0717	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0717	1	1
Brugia malayi	nuclear receptor NHR-67	0.0338	0.2541	0.2541
Brugia malayi	photoreceptor-specific nuclear receptor	0.0717	1	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0717	1	1
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0338	0.2541	0.2541
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0717	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0717	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0338	0.2541	0.2541
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0338	0.2541	0.2541
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0717	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0338	0.2541	0.2541
Brugia malayi	nuclear receptor NHR-88	0.0717	1	1
Loa Loa (eye worm)	hypothetical protein	0.0717	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0717	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0338	0.2541	0.2541
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0338	0.2541	0.2541
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0338	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0338	0.2541	0.2541
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0717	1	1
Echinococcus multilocularis	FTZ F1 alpha	0.0717	1	1
Schistosoma mansoni	thyroid hormone receptor	0.0717	1	1
Loa Loa (eye worm)	hypothetical protein	0.0717	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0717	1	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0717	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0717	1	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0717	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0717	1	1
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0717	1	1
Brugia malayi	nuclear hormone receptor	0.0717	1	1
Echinococcus multilocularis	nuclear receptor nhr 48	0.0338	0.2541	0.2541
Schistosoma mansoni	thyroid hormone receptor	0.0717	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0717	1	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0338	0.2541	0.2541
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0717	1	1
Brugia malayi	hypothetical protein	0.0379	0.3339	0.3339
Schistosoma mansoni	nuclear receptor	0.0338	0.2541	0.2541
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0717	1	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0338	0.2541	0.2541
Schistosoma mansoni	nuclear hormone receptor	0.0338	0.2541	0.2541
Loa Loa (eye worm)	DR-78	0.0338	0.2541	0.2541
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0717	1	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0717	1	1
Brugia malayi	steroid hormone receptor	0.0717	1	1
Onchocerca volvulus		0.0717	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0717	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0379	0.3339	0.3339
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0717	1	1
Loa Loa (eye worm)	hypothetical protein	0.0338	0.2541	0.2541
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0717	1	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0338	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0338	0.2541	0.2541
Onchocerca volvulus	Bile acid receptor homolog	0.0717	1	1
Schistosoma mansoni	nuclear receptor	0.0338	0.2541	0.2541
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0717	1	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0717	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0338	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0338	0.2541	0.2541
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0717	1	1
Loa Loa (eye worm)	hypothetical protein	0.0338	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0379	0.3339	0.3339
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0717	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0717	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0379	0.3339	0.3339
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0717	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0338	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0338	0.2541	0.2541
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0717	1	1
Brugia malayi	nuclear receptor NHR-88	0.0338	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0338	0.2541	0.2541
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0379	0.3339	0.3339
Brugia malayi	hypothetical protein	0.0379	0.3339	0.3339
Loa Loa (eye worm)	hypothetical protein	0.0338	0.2541	0.2541
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0717	1	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0338	0.2541	0.2541
Brugia malayi	Nuclear hormone receptor E75	0.0338	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0717	1	1
Loa Loa (eye worm)	hypothetical protein	0.0717	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0379	0.3339	0.3339
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0338	0.2541	0.2541
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0717	1	1
Onchocerca volvulus		0.0338	0.2541	0.2541
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0338	0.2541	0.2541
Brugia malayi	conserved hypotetical protein	0.0338	0.2541	0.2541
Brugia malayi	tailless protein	0.0338	0.2541	0.2541
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0338	0.2541	0.2541
Brugia malayi	hypothetical protein	0.0338	0.2541	0.2541
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0717	1	1
Echinococcus granulosus	nuclear receptor nhr 48	0.0338	0.2541	0.2541
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0717	1	1
Loa Loa (eye worm)	hypothetical protein	0.0379	0.3339	0.3339
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0717	1	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0717	1	1
Loa Loa (eye worm)	hypothetical protein	0.0717	1	1
Brugia malayi	nuclear hormone receptor	0.0338	0.2541	0.2541
Schistosoma mansoni	nuclear hormone receptor	0.0338	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0338	0.2541	0.2541
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0717	1	1
Loa Loa (eye worm)	hypothetical protein	0.0379	0.3339	0.3339
Schistosoma mansoni	zinc finger protein	0.0338	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0717	1	1
Loa Loa (eye worm)	hypothetical protein	0.0338	0.2541	0.2541
Loa Loa (eye worm)	nuclear hormone receptor	0.0338	0.2541	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0379	0.3339	0.3339
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0717	1	1
Onchocerca volvulus		0.0338	0.2541	0.2541
Schistosoma mansoni	coup transcription factor	0.0717	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4.6 uM	Inhibitory activity against human recombinant Dipeptidyl-peptidase IV	ChEMBL.	15012982
IC50 (binding)	= 4.6 uM	Inhibitory activity against human recombinant Dipeptidyl-peptidase IV	ChEMBL.	15012982
IC50 (binding)	= 50 uM	Inhibitory activity of the compound against human quiescent cell proline dipeptidase	ChEMBL.	15012982
IC50 (binding)	= 50 uM	Inhibitory activity of the compound against human quiescent cell proline dipeptidase	ChEMBL.	15012982
IC50 (binding)	> 100 uM	Inhibitory activity of the compound against human prolyl endopeptidase	ChEMBL.	15012982
IC50 (binding)	> 100 uM	Inhibitory activity against human aminopeptidase P	ChEMBL.	15012982
IC50 (binding)	> 100 uM	Inhibitory activity of the compound against human prolyl endopeptidase	ChEMBL.	15012982

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: CHEMBL355244

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 286806