Detailed information for compound 1419588

Basic information

Technical information
  • TDR Targets ID: 1419588
  • Name: N-[6-(pentanoylamino)pyridin-3-yl]pentanamide
  • MW: 277.362 | Formula: C15H23N3O2
  • H donors: 2 H acceptors: 3 LogP: 2.28 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC(=O)Nc1ccc(cn1)NC(=O)CCCC
  • InChi: 1S/C15H23N3O2/c1-3-5-7-14(19)17-12-9-10-13(16-11-12)18-15(20)8-6-4-2/h9-11H,3-8H2,1-2H3,(H,17,19)(H,16,18,20)
  • InChiKey: BVFOOTSGWNDUIY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[6-(pentanoylamino)-3-pyridyl]pentanamide
  • N-[6-(1-oxopentylamino)-3-pyridyl]pentanamide
  • N-[6-(valerylamino)-3-pyridyl]valeramide
  • Pentanoic acid (5-pentanoylamino-pyridin-2-yl)-amide
  • ASN 05804084
  • SMR000005497
  • ZINC04093213
  • MLS000035189

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
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.081 0.4443 0.5757
Brugia malayi hypothetical protein 0.0146 0.0521 0.0675
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0111 0.0313 0.5
Giardia lamblia DNA repair protein RAD52 0.1751 1 0.5
Schistosoma mansoni hypothetical protein 0.0554 0.2928 0.686
Brugia malayi MH1 domain containing protein 0.0093 0.0205 0.0266
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0093 0.0205 0.0481
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0256 0.1171 0.2376
Onchocerca volvulus 0.0146 0.0521 1
Echinococcus granulosus tar DNA binding protein 0.0781 0.4268 1
Toxoplasma gondii isocitrate dehydrogenase 0.0111 0.0313 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0183 0.0738 0.1729
Schistosoma mansoni Smad4 0.0093 0.0205 0.0481
Brugia malayi isocitrate dehydrogenase 0.0111 0.0313 0.0405
Brugia malayi MH2 domain containing protein 0.0093 0.0205 0.0266
Schistosoma mansoni smad1 5 8 and 0.0093 0.0205 0.0481
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0111 0.0313 0.5
Brugia malayi TAR-binding protein 0.0781 0.4268 0.5531
Brugia malayi hypothetical protein 0.0286 0.1343 0.174
Schistosoma mansoni hypothetical protein 0.0256 0.1171 0.2742
Brugia malayi Isocitrate dehydrogenase 0.0111 0.0313 0.0405
Schistosoma mansoni hypothetical protein 0.0183 0.0738 0.1729
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0111 0.0313 0.5
Echinococcus granulosus GPCR family 2 0.0256 0.1171 0.2376
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0256 0.1171 0.2376
Schistosoma mansoni tar DNA-binding protein 0.0781 0.4268 1
Loa Loa (eye worm) RNA binding protein 0.0781 0.4268 0.5409
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0498 0.2599 0.2009
Brugia malayi MH2 domain containing protein 0.1365 0.7718 1
Loa Loa (eye worm) hypothetical protein 0.0554 0.2928 0.3625
Echinococcus multilocularis isocitrate dehydrogenase 0.0111 0.0313 0.0265
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0183 0.0738 0.1311
Loa Loa (eye worm) latrophilin receptor protein 2 0.0256 0.1171 0.1285
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0781 0.4268 0.5409
Brugia malayi hypothetical protein 0.0183 0.0738 0.0956
Schistosoma mansoni tar DNA-binding protein 0.0781 0.4268 1
Schistosoma mansoni hypothetical protein 0.0256 0.1171 0.2742
Schistosoma mansoni hypothetical protein 0.0256 0.1171 0.2742
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0111 0.0313 0.0733
Schistosoma mansoni smad 0.0093 0.0205 0.0481
Echinococcus multilocularis tar DNA binding protein 0.0781 0.4268 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0111 0.0313 0.0265
Brugia malayi latrophilin 2 splice variant baaae 0.0554 0.2928 0.3794
Brugia malayi MH1 domain containing protein 0.0093 0.0205 0.0266
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1297 1
Brugia malayi RNA recognition motif domain containing protein 0.0781 0.4268 0.5531
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0111 0.0313 0.0265
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0111 0.0313 0.5
Loa Loa (eye worm) hypothetical protein 0.0256 0.1171 0.1285
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0111 0.0313 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.081 0.4443 0.5641
Loa Loa (eye worm) TAR-binding protein 0.0781 0.4268 0.5409
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0111 0.0313 0.0265
Brugia malayi Smad1 0.0093 0.0205 0.0266
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1343 0.28
Schistosoma mansoni tar DNA-binding protein 0.0781 0.4268 1
Brugia malayi MH2 domain containing protein 0.0093 0.0205 0.0266
Schistosoma mansoni tar DNA-binding protein 0.0781 0.4268 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0111 0.0313 0.0143
Loa Loa (eye worm) hypothetical protein 0.0286 0.1343 0.1515
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0111 0.0313 0.5
Schistosoma mansoni hypothetical protein 0.0256 0.1171 0.2742
Schistosoma mansoni smad1 5 8 and 0.0093 0.0205 0.0481
Loa Loa (eye worm) hypothetical protein 0.081 0.4443 0.5641
Echinococcus multilocularis high affinity cAMP specific 3',5' cyclic 0.0386 0.1939 0.4268
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0111 0.0313 0.0265
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0111 0.0313 0.0265
Loa Loa (eye worm) transcription factor SMAD2 0.1365 0.7718 1
Brugia malayi RNA binding protein 0.0781 0.4268 0.5531
Echinococcus granulosus high affinity cAMP specific 3'5' cyclic 0.0386 0.1939 0.4268
Schistosoma mansoni smad1 5 8 and 0.0093 0.0205 0.0481
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1343 0.28
Echinococcus multilocularis GPCR, family 2 0.0256 0.1171 0.2376
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0111 0.0313 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.081 0.4443 0.5757
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0256 0.1171 0.2376
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0256 0.1171 0.1517
Schistosoma mansoni tar DNA-binding protein 0.0781 0.4268 1
Brugia malayi Latrophilin receptor protein 2 0.0256 0.1171 0.1517
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0183 0.0738 0.1311
Loa Loa (eye worm) hypothetical protein 0.0146 0.0521 0.042
Entamoeba histolytica hypothetical protein 0.0498 0.2599 0.2009
Toxoplasma gondii isocitrate dehydrogenase 0.0111 0.0313 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.1365 0.7718 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0256 0.1171 0.2376

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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