Detailed information for compound 846839

Basic information

Technical information
  • TDR Targets ID: 846839
  • Name: 4,6-dimethyl-3-(2-methyl-3-phenylprop-2-enoyl )-1H-pyridin-2-one
  • MW: 267.322 | Formula: C17H17NO2
  • H donors: 1 H acceptors: 3 LogP: 4.29 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)c(c(n1)O)C(=O)/C(=C/c1ccccc1)/C
  • InChi: 1S/C17H17NO2/c1-11-9-13(3)18-17(20)15(11)16(19)12(2)10-14-7-5-4-6-8-14/h4-10H,1-3H3,(H,18,20)/b12-10+
  • InChiKey: UZXUXPKSWBZLEE-ZRDIBKRKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4,6-dimethyl-3-[(E)-2-methyl-3-phenylprop-2-enoyl]-1H-pyridin-2-one
  • 4,6-dimethyl-3-(2-methyl-3-phenyl-prop-2-enoyl)-1H-pyridin-2-one
  • 4,6-dimethyl-3-[(E)-2-methyl-3-phenyl-prop-2-enoyl]-1H-pyridin-2-one
  • 4,6-dimethyl-3-(2-methyl-1-oxo-3-phenylprop-2-enyl)-1H-pyridin-2-one
  • 4,6-dimethyl-3-[(E)-2-methyl-1-oxo-3-phenylprop-2-enyl]-1H-pyridin-2-one
  • 4,6-dimethyl-3-[(E)-2-methyl-3-phenyl-acryloyl]-2-pyridone
  • 4,6-dimethyl-3-(2-methyl-3-phenyl-acryloyl)-2-pyridone
  • CBMicro_019769
  • 4,6-dimethyl-3-[(2E)-2-methyl-3-phenylprop-2-enoyl]pyridin-2(1H)-one
  • MLS000681739
  • SMR000312782
  • BIM-0019569.P001
  • ZINC04953374

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis netrin receptor unc 5 0.0104 0.0427 0.0427
Schistosoma mansoni jun-related protein 0.0518 0.4081 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.0432 0.0867
Brugia malayi Death domain containing protein 0.0104 0.0427 0.0832
Schistosoma mansoni hypothetical protein 0.0104 0.0427 0.1047
Echinococcus granulosus jun protein 0.0638 0.5135 0.5135
Schistosoma mansoni hypothetical protein 0.0518 0.4081 1
Brugia malayi bZIP transcription factor family protein 0.0638 0.5135 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0638 0.5135 0.5135
Echinococcus multilocularis nuclear factor of activated T cells 5 0.119 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0044 0.0088
Schistosoma mansoni netrin receptor unc5 0.0104 0.0427 0.1047
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0638 0.5135 0.5135
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0104 0.0427 0.0427
Echinococcus granulosus Ankyrin 0.0104 0.0432 0.0432
Schistosoma mansoni ankyrin 23/unc44 0.0104 0.0427 0.1047
Echinococcus multilocularis jun protein 0.0638 0.5135 0.5135
Onchocerca volvulus 0.0501 0.3927 1
Echinococcus granulosus death domain containing protein 0.0104 0.0427 0.0427
Brugia malayi Uncoordinated protein 44 0.0104 0.0427 0.0832
Brugia malayi hypothetical protein 0.0501 0.3927 0.7649
Echinococcus granulosus netrin receptor unc 5 0.0104 0.0427 0.0427
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0104 0.0427 0.0427
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0104 0.0432 0.1059
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0044 0.0085
Loa Loa (eye worm) hypothetical protein 0.006 0.0044 0.0088
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0104 0.0427 0.0858
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0044 0.0085
Echinococcus multilocularis Ankyrin 0.0104 0.0432 0.0432
Loa Loa (eye worm) hypothetical protein 0.062 0.498 1
Brugia malayi Protein kinase domain containing protein 0.0104 0.0427 0.0832
Brugia malayi Immunoglobulin I-set domain containing protein 0.0104 0.0427 0.0832
Loa Loa (eye worm) hypothetical protein 0.0104 0.0427 0.0858

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.8584 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 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

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

No literature references available for this target.

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