TDR Targets

Basic information

Technical information

TDR Targets ID: 259816
Name: 2-(3-benzyl-2-oxopyrrolidin-1-yl)butanamide
MW: 260.331 | Formula: C15H20N2O2
H donors: 1 H acceptors: 2 LogP: 1.65 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCC(N1CCC(C1=O)Cc1ccccc1)C(=O)N
InChi: 1S/C15H20N2O2/c1-2-13(14(16)18)17-9-8-12(15(17)19)10-11-6-4-3-5-7-11/h3-7,12-13H,2,8-10H2,1H3,(H2,16,18)
InChiKey: VOUDIUARAFGYFH-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-(3-benzyl-2-oxo-pyrrolidin-1-yl)butanamide
2-(3-benzyl-2-oxo-1-pyrrolidinyl)butanamide
2-[2-oxo-3-(phenylmethyl)pyrrolidin-1-yl]butanamide
2-(3-benzyl-2-keto-pyrrolidino)butyramide
2-[2-oxo-3-(phenylmethyl)-1-pyrrolidinyl]butanamide
2-[3-(benzyl)-2-keto-pyrrolidin-1-yl]butyramide

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
Toxoplasma gondii	flagellar/basal body protein	0.0041	0.1254	0.5
Loa Loa (eye worm)	hypothetical protein	0.008	0.2953	0.3621
Brugia malayi	Zinc carboxypeptidase family protein	0.0041	0.1254	1
Brugia malayi	Zinc carboxypeptidase family protein	0.0041	0.1254	1
Brugia malayi	Zinc carboxypeptidase family protein	0.0041	0.1254	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1254	0.1538
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0017	0.0186	1
Onchocerca volvulus		0.024	0.9956	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0035	0.0997	0.1223
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0041	0.1254	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1254	0.1538
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0241	1	1
Loa Loa (eye worm)	zinc carboxypeptidase	0.0041	0.1254	0.1538
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14, putative	0.0041	0.1254	0.5
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0997	0.1223
Brugia malayi	Zinc carboxypeptidase family protein	0.0041	0.1254	1
Toxoplasma gondii	zinc carboxypeptidase, putative	0.0041	0.1254	0.5
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0041	0.1254	0.5
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0041	0.1254	0.5
Loa Loa (eye worm)	zinc carboxypeptidase	0.0041	0.1254	0.1538
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0041	0.1254	0.5
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0041	0.1254	1
Loa Loa (eye worm)	hypothetical protein	0.0199	0.8153	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0041	0.1254	0.5
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0041	0.1254	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1254	0.1538
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0017	0.0186	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1254	0.1538
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0041	0.1254	0.5
Schistosoma mansoni	peptidase	0.0041	0.1254	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1254	0.1538
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0017	0.0186	0.5
Brugia malayi	Carboxypeptidase A2 precursor	0.0041	0.1254	1
Schistosoma mansoni	metallocarboxypeptidase D peptidase unit 2 (M14 family)	0.0041	0.1254	0.0786
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0041	0.1254	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0035	0.0997	0.7595
Mycobacterium ulcerans	hypothetical protein	0.0017	0.0186	1
Trypanosoma brucei	metallo-peptidase, Clan MC, Family M14, putative	0.0041	0.1254	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0508	0.0623
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0017	0.0186	0.5
Schistosoma mansoni	biogenic amine (5HT) receptor	0.008	0.2953	0.2576
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0041	0.1254	1
Loa Loa (eye worm)	zinc carboxypeptidase	0.0041	0.1254	0.1538
Schistosoma mansoni	protease m14 carboxypeptidase	0.0041	0.1254	0.0786
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.1254	1
Onchocerca volvulus		0.0041	0.1254	0.1093
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0017	0.0186	0.5
Echinococcus granulosus	biogenic amine 5HT receptor	0.008	0.2953	0.1942
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0041	0.1254	0.5
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0017	0.0186	1
Leishmania major	zinc carboxypeptidase, putative,metallo-peptidase, Clan MC, Family M14	0.0041	0.1254	1
Echinococcus multilocularis	serotonin receptor	0.008	0.2953	0.1942
Onchocerca volvulus	Subfamily M14A unassigned peptidase homolog	0.024	0.9956	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0017	0.0186	1
Echinococcus multilocularis	serotonin receptor	0.008	0.2953	0.1942
Plasmodium falciparum	acyl-CoA synthetase	0.0013	0	0.5
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0041	0.1254	0.5
Schistosoma mansoni	subfamily M14A unassigned peptidase (M14 family)	0.024	0.9956	0.9954
Brugia malayi	Zinc carboxypeptidase family protein	0.0041	0.1254	1
Echinococcus multilocularis	biogenic amine (5HT) receptor	0.0241	1	1
Echinococcus multilocularis	subfamily M14A unassigned peptidase	0.024	0.9956	0.995
Trypanosoma cruzi	zinc carboxypeptidase, putative	0.0041	0.1254	0.5
Schistosoma mansoni	peptidase	0.0041	0.1254	0.0786
Schistosoma mansoni	family M14 non-peptidase homologue (M14 family)	0.0041	0.1254	0.0786
Brugia malayi	Zinc carboxypeptidase family protein	0.0041	0.1254	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0041	0.1254	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0035	0.0997	0.7595
Onchocerca volvulus		0.024	0.9956	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1254	0.1538
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0017	0.0186	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0041	0.1254	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1254	0.1538
Schistosoma mansoni	carboxypeptidase N (M14 family)	0.0041	0.1254	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0186	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1254	0.1538
Echinococcus granulosus	subfamily M14A unassigned peptidase	0.024	0.9956	0.995
Mycobacterium ulcerans	acyl-CoA synthetase	0.0017	0.0186	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1254	0.1538
Brugia malayi	latrophilin 2 splice variant baaae	0.0024	0.0508	0.3012
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0017	0.0186	1
Loa Loa (eye worm)	zinc carboxypeptidase	0.0041	0.1254	0.1538
Onchocerca volvulus		0.0041	0.1254	0.1093
Giardia lamblia	Nuclear ATP/GTP-binding protein	0.0041	0.1254	0.5
Onchocerca volvulus		0.024	0.9956	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0186	0.0228
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0041	0.1254	0.5
Trypanosoma brucei	Carboxypeptidase-like protein	0.0041	0.1254	0.5
Entamoeba histolytica	acyl-coA synthetase, putative	0.0017	0.0186	0.5
Schistosoma mansoni	peptidase	0.0041	0.1254	0.0786
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0186	0.0228
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0041	0.1254	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1254	0.1538
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0041	0.1254	0.5
Toxoplasma gondii	zinc carboxypeptidase superfamily protein	0.0041	0.1254	0.5
Onchocerca volvulus	Cytosolic carboxypeptidase 1 homolog	0.0041	0.1254	0.1093
Brugia malayi	Zinc carboxypeptidase family protein	0.0041	0.1254	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0013	0	0.5
Schistosoma mansoni	hypothetical protein	0.0041	0.1254	0.0786
Brugia malayi	Zinc carboxypeptidase family protein	0.0041	0.1254	1
Onchocerca volvulus	Carboxypeptidase D homolog	0.0041	0.1254	0.1093
Loa Loa (eye worm)	hypothetical protein	0.008	0.2953	0.3621
Trypanosoma cruzi	Carboxypeptidase-like protein	0.0041	0.1254	0.5
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0017	0.0186	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0017	0.0186	1
Trichomonas vaginalis	Clan MC, family M14, Zinc carboxypeptidase-like metallopeptidase	0.0041	0.1254	0.5
Onchocerca volvulus		0.024	0.9956	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0017	0.0186	1
Trypanosoma cruzi	metallo-peptidase, Clan MC, Family M14	0.0041	0.1254	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
ED50 (functional)	= 320 uM kg-1	In vivo dose required to protect 50% audiogenic seizure prone mice against clonic convulsions	ChEMBL.	14736235
ED50 (functional)	= 320 uM kg-1	In vivo dose required to protect 50% audiogenic seizure prone mice against clonic convulsions	ChEMBL.	14736235
Inhibition (binding)	< 20 %	In vitro inhibitory activity against [3H]-(2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site	ChEMBL.	14736235
Inhibition (binding)	< 20 %	In vitro inhibitory activity against [3H]-(2S)-2-[4-(3-azidophenyl)-2-oxopyrrolidin-1-yl]butanamide binding to levetiracetam binding site	ChEMBL.	14736235

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: CHEMBL357081
PubChem: 22387081

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 259816