Detailed information for compound 151177

Basic information

Technical information
  • TDR Targets ID: 151177
  • Name: 2-(butanoylamino)-3-methyl-4-oxo-4-phenylbuta noic acid
  • MW: 277.316 | Formula: C15H19NO4
  • H donors: 2 H acceptors: 4 LogP: 1.88 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)NC(C(C(=O)c1ccccc1)C)C(=O)O
  • InChi: 1S/C15H19NO4/c1-3-7-12(17)16-13(15(19)20)10(2)14(18)11-8-5-4-6-9-11/h4-6,8-10,13H,3,7H2,1-2H3,(H,16,17)(H,19,20)
  • InChiKey: AHOOVAIPBICAQQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(butanoylamino)-3-methyl-4-oxo-4-phenyl-butanoic acid
  • 3-methyl-4-oxo-2-(1-oxobutylamino)-4-phenylbutanoic acid
  • 2-butyramido-4-keto-3-methyl-4-phenyl-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
Obtained from network model

Ranking Plot

Putative Targets List

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

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

Bibliographic References

1 literature reference was collected for this gene.

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