Detailed information for compound 1537909

Basic information

Technical information
  • TDR Targets ID: 1537909
  • Name: 3-(2,4-dimethylphenyl)sulfonyl-4,6-dimethyl-1 H-pyridin-2-one
  • MW: 291.365 | Formula: C15H17NO3S
  • H donors: 1 H acceptors: 4 LogP: 3.67 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)C)S(=O)(=O)c1c(C)cc(nc1O)C
  • InChi: 1S/C15H17NO3S/c1-9-5-6-13(10(2)7-9)20(18,19)14-11(3)8-12(4)16-15(14)17/h5-8H,1-4H3,(H,16,17)
  • InChiKey: FBVXQGOLLZAQBP-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(2,4-dimethylphenyl)sulfonyl-4,6-dimethyl-2-pyridone
  • ZINC01401758
  • 1K-307S

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) iota 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase eta, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0011 0 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 1 1
Toxoplasma gondii flavodoxin domain-containing protein 0.0011 0 0.5
Schistosoma mansoni NADPH flavin oxidoreductase 0.0011 0.0141 0.0141
Giardia lamblia DINP protein human, muc B family 0.0023 1 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 1 1
Schistosoma mansoni cytochrome P450 reductase 0.0023 0.9364 0.9364
Echinococcus granulosus dna polymerase eta 0.0023 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.9364 0.918
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0023 0.9364 0.8935
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0023 0.9364 0.918
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 1 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0023 0.9364 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 1 1
Leishmania major DNA polymerase eta, putative 0.0023 1 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 1 1
Leishmania major DNA polymerase kappa, putative 0.0023 1 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0023 0.9364 0.7688
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0023 0.9364 0.8935
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 1
Chlamydia trachomatis sulfite reductase 0.0014 0.2254 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 1 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0023 0.9364 0.918
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0023 0.9364 0.918
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 1 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 1 1
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0023 0.9364 0.8935
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0014 0.2254 0.2254
Loa Loa (eye worm) FAD binding domain-containing protein 0.0023 0.9364 0.918
Echinococcus multilocularis dna polymerase kappa 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Schistosoma mansoni DNA polymerase eta 0.0023 1 1
Trypanosoma brucei unspecified product 0.0023 1 1
Trichomonas vaginalis sulfite reductase, putative 0.0023 0.9364 0.7688
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 1 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0023 1 1
Leishmania major p450 reductase, putative 0.0023 0.9364 0.7688
Brugia malayi flavodoxin family protein 0.0023 0.9364 0.918
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0023 0.9364 0.8935
Trypanosoma brucei DNA polymerase IV, putative 0.0023 1 1
Plasmodium falciparum nitric oxide synthase, putative 0.0023 0.9364 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0023 1 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 1 1
Echinococcus multilocularis dna polymerase eta 0.0023 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 1 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 1 1
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0023 0.9364 0.918
Brugia malayi FAD binding domain containing protein 0.0023 0.9364 0.918
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 1 1
Echinococcus granulosus dna polymerase kappa 0.0023 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 15.8489 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

No literature references available for this target.

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