Detailed information for compound 287490

Basic information

Technical information
  • TDR Targets ID: 287490
  • Name: 3-methyl-N-(2-pyridin-4-ylpyrimidin-4-yl)buta namide
  • MW: 256.303 | Formula: C14H16N4O
  • H donors: 1 H acceptors: 4 LogP: 1.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC(=O)Nc1ccnc(n1)c1ccncc1)C
  • InChi: 1S/C14H16N4O/c1-10(2)9-13(19)17-12-5-8-16-14(18-12)11-3-6-15-7-4-11/h3-8,10H,9H2,1-2H3,(H,16,17,18,19)
  • InChiKey: PDZGJVNOKZIRIS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-methyl-N-[2-(4-pyridyl)pyrimidin-4-yl]butanamide
  • 3-methyl-N-[2-(4-pyridyl)-4-pyrimidinyl]butanamide
  • 3-methyl-N-[2-(4-pyridyl)pyrimidin-4-yl]butyramide
  • SMR000337182
  • ZINC01403186
  • 9K-349S
  • 3-methyl-N-[2-(4-pyridinyl)-4-pyrimidinyl]butanamide
  • MLS000763588

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0066 0.0013 0.0322
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1001 0.0406 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0066 0.0013 0.0322
Schistosoma mansoni nuclear hormone receptor 0.0066 0.0013 0.0322
Echinococcus multilocularis geminin 0.0205 0.0071 0.1757
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0066 0.0013 0.0322
Echinococcus multilocularis FTZ F1 alpha 0.0066 0.0013 0.0322
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0066 0.0013 0.0322
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.1001 0.0406 0.5
Echinococcus granulosus FTZ F1 alpha 0.0066 0.0013 0.0322
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0066 0.0013 0.0322
Brugia malayi photoreceptor-specific nuclear receptor 0.0066 0.0013 0.0322
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0704 0.0281 0.6922
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0704 0.0281 0.6922
Loa Loa (eye worm) hypothetical protein 0.0066 0.0013 0.0322
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 0.9064 0.3792 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0066 0.0013 0.0322
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1001 0.0406 1
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1001 0.0406 1
Loa Loa (eye worm) hypothetical protein 0.1001 0.0406 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0066 0.0013 0.0322
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.1001 0.0406 0.5
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.1001 0.0406 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0013 0.0322
Schistosoma mansoni thyroid hormone receptor 0.0066 0.0013 0.0322
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1001 0.0406 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0066 0.0013 0.0322
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 2.3846 1 0.5
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.1001 0.0406 0.0213
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1001 0.0406 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0066 0.0013 0.0322
Schistosoma mansoni retinoic acid receptor RXR 0.0066 0.0013 0.0322
Loa Loa (eye worm) hypothetical protein 0.0066 0.0013 0.0322
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0066 0.0013 0.0322
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1001 0.0406 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0066 0.0013 0.0322
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0066 0.0013 0.0322
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0066 0.0013 0.0322
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0066 0.0013 0.0322
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.1001 0.0406 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0066 0.0013 0.0322
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0066 0.0013 0.0322
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0704 0.0281 0.6922
Echinococcus multilocularis ecdysone induced protein 78C 0.0066 0.0013 0.0322
Brugia malayi Nuclear hormone receptor-like 1 0.0066 0.0013 0.0322
Schistosoma mansoni thyroid hormone receptor 0.0066 0.0013 0.0322
Echinococcus granulosus geminin 0.0205 0.0071 0.1757
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0066 0.0013 0.0322
Loa Loa (eye worm) hypothetical protein 0.0066 0.0013 0.0322
Schistosoma mansoni hypothetical protein 0.0205 0.0071 0.1757
Loa Loa (eye worm) hypothetical protein 0.0066 0.0013 0.0322
Schistosoma mansoni RAR-like nuclear receptor 0.0066 0.0013 0.0322
Loa Loa (eye worm) hypothetical protein 0.0066 0.0013 0.0322
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 0.9064 0.3792 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0066 0.0013 0.0322
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0704 0.0281 0.6922
Brugia malayi nuclear hormone receptor 0.0066 0.0013 0.0322
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0066 0.0013 0.0322
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0066 0.0013 0.0322
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0066 0.0013 0.0322
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1001 0.0406 1
Schistosoma mansoni coup transcription factor 0.0066 0.0013 0.0322
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0066 0.0013 0.0322
Loa Loa (eye worm) hypothetical protein 0.0066 0.0013 0.0322
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0066 0.0013 0.0322
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0066 0.0013 0.0322
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 2.3846 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0066 0.0013 0.0322
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.1001 0.0406 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0066 0.0013 0.0322
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0066 0.0013 0.0322
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0066 0.0013 0.0322
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0066 0.0013 0.0322
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0066 0.0013 0.0322
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 2.3846 1 1
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.1001 0.0406 0.5
Loa Loa (eye worm) hypothetical protein 0.0066 0.0013 0.0322
Echinococcus multilocularis thyroid hormone receptor alpha 0.0066 0.0013 0.0322
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0066 0.0013 0.0322
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0066 0.0013 0.0322
Brugia malayi ecdysteroid receptor 0.0066 0.0013 0.0322
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0704 0.0281 0.6922
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0066 0.0013 0.0322
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1001 0.0406 0.5
Brugia malayi steroid hormone receptor 0.0066 0.0013 0.0322
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0066 0.0013 0.0322
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0066 0.0013 0.0322
Brugia malayi Steroid receptor seven-up type 2 0.0066 0.0013 0.0322
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0066 0.0013 0.0322
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0066 0.0013 0.0322
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0066 0.0013 0.0322
Loa Loa (eye worm) steroid hormone receptor 0.0066 0.0013 0.0322
Schistosoma mansoni hypothetical protein 0.0205 0.0071 0.1757
Echinococcus granulosus ecdysone induced protein 78C 0.0066 0.0013 0.0322
Mycobacterium leprae PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL) 0.0504 0.0197 0.0113
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1001 0.0406 0.5
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0066 0.0013 0.0322
Brugia malayi nuclear receptor NHR-88 0.0066 0.0013 0.0322
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0066 0.0013 0.0322
Onchocerca volvulus 0.1001 0.0406 1

Activities

Activity type Activity value Assay description Source Reference
PCA shift (functional) = 5 Antiallergic activity against IgE-mediated passive cutaneous anaphylaxis (PCA) in rats ChEMBL. 6180166
Potency (functional) 0.1 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 16.3601 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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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