TDR Targets

Basic information

Technical information

TDR Targets ID: 151179
Name: 4-oxo-4-phenyl-2-(propanoylamino)butanoic aci d
MW: 249.262 | Formula: C13H15NO4
H donors: 2 H acceptors: 4 LogP: 0.95 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCC(=O)NC(C(=O)O)CC(=O)c1ccccc1
InChi: 1S/C13H15NO4/c1-2-12(16)14-10(13(17)18)8-11(15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,14,16)(H,17,18)
InChiKey: IJINILPAVBINDJ-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

4-oxo-2-(1-oxopropylamino)-4-phenylbutanoic acid
4-keto-4-phenyl-2-propionamido-butyric acid

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
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0034	0.4496	0.8329
Brugia malayi	steroid hormone receptor	0.0034	0.4496	0.4496
Loa Loa (eye worm)	hypothetical protein	0.0034	0.4496	0.4496
Loa Loa (eye worm)	hypothetical protein	0.0055	1	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0032	0.3976	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0034	0.4496	0.4496
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0034	0.4496	0.4496
Brugia malayi	Nuclear hormone receptor-like 1	0.0034	0.4496	0.4496
Echinococcus multilocularis	ecdysone induced protein 78C	0.0034	0.4496	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0179	0.0179
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	0.4496	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0032	0.3976	0.8793
Chlamydia trachomatis	DNA topoisomerase I	0.0032	0.3976	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0032	0.3976	0.8793
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0034	0.4496	1
Brugia malayi	nuclear receptor RXR	0.0018	0.0179	0.0179
Loa Loa (eye worm)	brahma associated protein	0.0032	0.3976	0.3976
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0034	0.4496	0.8329
Onchocerca volvulus	Bile acid receptor homolog	0.0034	0.4496	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.4496	0.4496
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0179	0.0179
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0034	0.4496	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0034	0.4496	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0032	0.3976	0.3976
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.3976	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0034	0.4496	0.4496
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0032	0.3976	0.5
Brugia malayi	Nuclear hormone receptor-like 1	0.0018	0.0179	0.0179
Schistosoma mansoni	nuclear hormone receptor	0.0034	0.4496	0.8329
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0034	0.4496	0.8329
Loa Loa (eye worm)	steroid hormone receptor	0.0034	0.4496	0.4496
Loa Loa (eye worm)	hypothetical protein	0.0034	0.4496	0.4496
Loa Loa (eye worm)	hypothetical protein	0.0034	0.4496	0.4496
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	0.4496	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0034	0.4496	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.5362	0.5362
Loa Loa (eye worm)	hypothetical protein	0.0034	0.4496	0.4496
Echinococcus multilocularis	FTZ F1 alpha	0.0034	0.4496	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0034	0.4496	0.4496
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0034	0.4496	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0032	0.3976	0.3976
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0034	0.4496	0.4496
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.3976	0.5
Brugia malayi	brahma associated protein 60 kDa	0.0032	0.3976	0.3976
Brugia malayi	brahma associated protein 60 kDa	0.0032	0.3976	0.3976
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0034	0.4496	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0034	0.4496	0.8329
Loa Loa (eye worm)	hypothetical protein	0.0034	0.4496	0.4496
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0034	0.4496	0.4496
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0034	0.4496	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0034	0.4496	1
Schistosoma mansoni	hypothetical protein	0.0032	0.3976	0.7325
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0179	0.0179
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0034	0.4496	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0179	0.0179
Schistosoma mansoni	thyroid hormone receptor	0.0034	0.4496	0.8329
Onchocerca volvulus		0.0034	0.4496	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0034	0.4496	0.4496
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0034	0.4496	0.4496
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0034	0.4496	0.4496
Schistosoma mansoni	retinoic acid receptor RXR	0.0034	0.4496	0.8329
Trypanosoma cruzi	cytochrome P450, putative	0.0017	0	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0034	0.4496	0.8329
Loa Loa (eye worm)	hypothetical protein	0.0037	0.5362	0.5362
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0032	0.3976	0.5
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0034	0.4496	0.4496
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0034	0.4496	0.8329
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0018	0.0179	0.0179
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0179	0.0179
Echinococcus granulosus	SWI:SNF matrix associated	0.0032	0.3976	0.8793
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0034	0.4496	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0018	0.0179	0.0179
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0034	0.4496	0.4496
Schistosoma mansoni	thyroid hormone receptor	0.0034	0.4496	0.8329
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0034	0.4496	0.4496
Loa Loa (eye worm)	hypothetical protein	0.0034	0.4496	0.4496
Schistosoma mansoni	hypothetical protein	0.0032	0.3976	0.7325
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0032	0.3976	0.5
Brugia malayi	nuclear receptor NHR-88	0.0034	0.4496	0.4496
Echinococcus granulosus	ecdysone induced protein 78C	0.0034	0.4496	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0034	0.4496	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0034	0.4496	0.4496
Trypanosoma brucei	cytochrome P450, putative	0.0017	0	0.5
Brugia malayi	hypothetical protein	0.0018	0.0179	0.0179
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0034	0.4496	0.8329
Schistosoma mansoni	RAR-like nuclear receptor	0.0034	0.4496	0.8329
Schistosoma mansoni	coup transcription factor	0.0034	0.4496	0.8329
Leishmania major	cytochrome p450-like protein	0.0017	0	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0034	0.4496	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0032	0.3976	0.8793
Chlamydia trachomatis	SWIB complex protein	0.0032	0.3976	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.4496	0.4496
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0034	0.4496	0.4496
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0034	0.4496	0.4496
Echinococcus granulosus	FTZ F1 alpha	0.0034	0.4496	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0032	0.3976	0.8793
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0034	0.4496	0.4496
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0032	0.3976	0.5
Brugia malayi	Steroid receptor seven-up type 2	0.0034	0.4496	0.4496
Trypanosoma cruzi	cytochrome P450, putative	0.0017	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0034	0.4496	0.4496
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0034	0.4496	0.4496
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0034	0.4496	0.4496
Brugia malayi	nuclear hormone receptor	0.0034	0.4496	0.4496
Schistosoma mansoni	hypothetical protein	0.0032	0.3976	0.7325
Onchocerca volvulus	Protein ultraspiracle homolog	0.0034	0.4496	1
Brugia malayi	hypothetical protein	0.0018	0.0179	0.0179
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0034	0.4496	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0017	0	0.5
Schistosoma mansoni	hypothetical protein	0.0037	0.5362	1
Schistosoma mansoni	brg-1 associated factor	0.0032	0.3976	0.7325
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0034	0.4496	0.4496
Brugia malayi	ecdysteroid receptor	0.0034	0.4496	0.4496
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0032	0.3976	0.8793
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0034	0.4496	0.4496

Activities

Activity type	Activity value	Assay description	Source	Reference
S	0	Solubility (3% ethanol:water or 3% methanol:water)	ChEMBL.	11784131

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: 10944812

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 151179