Detailed information for compound 1288248

Basic information

Technical information
  • TDR Targets ID: 1288248
  • Name: 2-ethyl-N-pyridin-4-ylbutanamide
  • MW: 192.258 | Formula: C11H16N2O
  • H donors: 1 H acceptors: 2 LogP: 1.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)Nc1ccncc1)CC
  • InChi: 1S/C11H16N2O/c1-3-9(4-2)11(14)13-10-5-7-12-8-6-10/h5-9H,3-4H2,1-2H3,(H,12,13,14)
  • InChiKey: LMDYCCDOBIECIJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-ethyl-N-(4-pyridyl)butanamide
  • 2-ethyl-N-(4-pyridyl)butyramide
  • 2-ethyl-N-pyridin-4-yl-butanamide
  • AG-690/10414037
  • ZINC00342995
  • 2-ethyl-N-(4-pyridinyl)butanamide
  • MLS000756195
  • SMR000226096

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
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1401 0.2921
Loa Loa (eye worm) transcription factor SMAD2 0.0131 0.3348 1
Schistosoma mansoni hypothetical protein 0.0034 0.0404 0.0842
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.1401 0.4186
Brugia malayi jmjC domain containing protein 0.0099 0.2377 0.71
Schistosoma mansoni hypothetical protein 0.0179 0.4797 1
Plasmodium falciparum phd finger protein, putative 0.003 0.0291 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1401 0.2921
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.065 0.065
Echinococcus multilocularis tar DNA binding protein 0.0067 0.1401 0.1401
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0484 0.1445
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0484 0.0484
Loa Loa (eye worm) hypothetical protein 0.0051 0.0929 0.2776
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.2229 0.4647
Echinococcus multilocularis geminin 0.0179 0.4797 0.4797
Brugia malayi RNA binding protein 0.0067 0.1401 0.4186
Brugia malayi Bromodomain containing protein 0.003 0.0291 0.0869
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.1599 0.4776
Echinococcus granulosus tar DNA binding protein 0.0067 0.1401 0.1401
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0291 0.0869
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.2629 0.7852
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0404 0.0404
Loa Loa (eye worm) RNA binding protein 0.0067 0.1401 0.4186
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.2229 0.2229
Giardia lamblia PHD finger protein 15 0.003 0.0291 1
Loa Loa (eye worm) hypothetical protein 0.0073 0.1599 0.4776
Loa Loa (eye worm) MH2 domain-containing protein 0.0131 0.3348 1
Onchocerca volvulus 0.0051 0.0929 1
Schistosoma mansoni hypothetical protein 0.0034 0.0404 0.0842
Schistosoma mansoni hypothetical protein 0.003 0.0291 0.0606
Echinococcus granulosus GPCR family 2 0.0034 0.0404 0.0404
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0404 0.1206
Brugia malayi jmjC domain containing protein 0.0037 0.0484 0.1445
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0404 0.0404
Loa Loa (eye worm) hypothetical protein 0.0107 0.2629 0.7852
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.2229 0.4647
Echinococcus granulosus geminin 0.0179 0.4797 0.4797
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.2229 0.6659
Schistosoma mansoni hypothetical protein 0.0073 0.1599 0.3333
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0291 0.0291
Schistosoma mansoni cellular tumor antigen P53 0.0051 0.0929 0.1937
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0484 0.0484
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.1267 0.3785
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.2629 0.7852
Echinococcus granulosus jumonji domain containing protein 0.0042 0.065 0.065
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.2229 0.6659
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.1401 0.4186
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.2229 0.2229
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.003 0.0291 0.0606
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.2229 0.2229
Schistosoma mansoni jumonji domain containing protein 0.0079 0.176 0.3668
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0404 0.0404
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0404 0.1206
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.2229 0.4647
Brugia malayi PHD-finger family protein 0.003 0.0291 0.0869
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.2629 0.7852
Plasmodium vivax hypothetical protein, conserved 0.003 0.0291 1
Brugia malayi TAR-binding protein 0.0067 0.1401 0.4186
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.2229 0.2229
Schistosoma mansoni hypothetical protein 0.0034 0.0404 0.0842
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1401 0.2921
Loa Loa (eye worm) hypothetical protein 0.003 0.0291 0.0869
Schistosoma mansoni hypothetical protein 0.0034 0.0404 0.0842
Echinococcus multilocularis GPCR, family 2 0.0034 0.0404 0.0404
Brugia malayi MH2 domain containing protein 0.0131 0.3348 1
Schistosoma mansoni hypothetical protein 0.0179 0.4797 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0404 0.1206
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0404 0.1206
Echinococcus granulosus peregrin 0.003 0.0291 0.0291
Echinococcus multilocularis peregrin 0.003 0.0291 0.0291
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0291 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.2377 0.2377
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0291 0.0291
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0484 0.1008
Loa Loa (eye worm) hypothetical protein 0.0052 0.0946 0.2825
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0291 1
Loa Loa (eye worm) TAR-binding protein 0.0067 0.1401 0.4186
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.2377 0.2377
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1401 0.2921
Schistosoma mansoni tar DNA-binding protein 0.0067 0.1401 0.2921
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0484 0.1008
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0404 0.0404

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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