Detailed information for compound 825209

Basic information

Technical information
  • TDR Targets ID: 825209
  • Name: ethyl 4-[(3,4-dimethylphenyl)sulfonylmethyl]- 2-oxo-6-phenyl-3,6-dihydro-1H-pyrimidine-5-ca rboxylate
  • MW: 428.501 | Formula: C22H24N2O5S
  • H donors: 2 H acceptors: 4 LogP: 2.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)C1=C(NC(=O)NC1c1ccccc1)CS(=O)(=O)c1ccc(c(c1)C)C
  • InChi: 1S/C22H24N2O5S/c1-4-29-21(25)19-18(13-30(27,28)17-11-10-14(2)15(3)12-17)23-22(26)24-20(19)16-8-6-5-7-9-16/h5-12,20H,4,13H2,1-3H3,(H2,23,24,26)
  • InChiKey: LEPYKVADZAXJGU-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-[(3,4-dimethylphenyl)sulfonylmethyl]-2-oxo-6-phenyl-3,6-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
  • 4-[(3,4-dimethylphenyl)sulfonylmethyl]-2-keto-6-phenyl-3,6-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester

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
Loa Loa (eye worm) hypothetical protein 0.0382 0.2104 0.2358
Echinococcus multilocularis tissue type plasminogen activator 0.0378 0.2072 1
Echinococcus multilocularis enteropeptidase 0.0211 0.0407 0.1967
Leishmania major hypothetical protein, conserved 0.0378 0.2072 0.5
Plasmodium falciparum cysteine repeat modular protein 1 0.0378 0.2072 0.5
Echinococcus granulosus Mastin 0.0211 0.0407 0.1967
Loa Loa (eye worm) hypothetical protein 0.0211 0.0407 0.0457
Onchocerca volvulus 0.0859 0.6833 0.7659
Brugia malayi Muscle positioning protein 4 0.0382 0.2104 0.2358
Schistosoma mansoni cercarial elastase (S01 family) 0.0211 0.0407 0.0407
Onchocerca volvulus 0.0211 0.0407 0.0457
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0225 0.0553 0.0553
Onchocerca volvulus 0.0211 0.0407 0.0457
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0378 0.2072 0.5
Schistosoma mansoni hypothetical protein 0.0211 0.0407 0.0407
Onchocerca volvulus 0.0378 0.2072 0.2322
Brugia malayi Trypsin family protein 0.0211 0.0407 0.0457
Loa Loa (eye worm) hypothetical protein 0.0321 0.1504 0.1686
Mycobacterium ulcerans hypothetical protein 0.0211 0.0407 0.5
Brugia malayi Trypsin family protein 0.1069 0.8921 1
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0211 0.0407 0.1967
Schistosoma mansoni cercarial elastase (S01 family) 0.0211 0.0407 0.0407
Schistosoma mansoni hypothetical protein 0.0321 0.1504 0.1504
Schistosoma mansoni hypothetical protein 0.0378 0.2072 0.2072
Schistosoma mansoni cercarial elastase (S01 family) 0.0211 0.0407 0.0407
Loa Loa (eye worm) DOMON domain-containing protein 0.0321 0.1504 0.1686
Loa Loa (eye worm) trypsin family protein 0.0211 0.0407 0.0457
Loa Loa (eye worm) hypothetical protein 0.0211 0.0407 0.0457
Echinococcus granulosus glycoprotein Antigen 5 0.0211 0.0407 0.1967
Onchocerca volvulus 0.0321 0.1504 0.1686
Schistosoma mansoni cercarial elastase (S01 family) 0.0211 0.0407 0.0407
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0261 0.0906 0.0906
Onchocerca volvulus 0.0211 0.0407 0.0457
Loa Loa (eye worm) hypothetical protein 0.0211 0.0407 0.0457
Echinococcus multilocularis transmembrane protease serine 3 0.0211 0.0407 0.1967
Onchocerca volvulus 0.0382 0.2104 0.2358
Brugia malayi Kringle domain containing protein 0.0378 0.2072 0.2322
Schistosoma mansoni cercarial elastase (S01 family) 0.0211 0.0407 0.0407
Loa Loa (eye worm) hypothetical protein 0.1069 0.8921 1
Toxoplasma gondii PAN domain-containing protein 0.0652 0.478 1
Echinococcus granulosus transmembrane protease serine 3 0.0211 0.0407 0.1967
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0211 0.0407 0.0407
Schistosoma mansoni cercarial elastase (S01 family) 0.0211 0.0407 0.0407
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1069 0.8921 0.8921
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0211 0.0407 0.0407
Loa Loa (eye worm) hypothetical protein 0.0378 0.2072 0.2322
Loa Loa (eye worm) hypothetical protein 0.0211 0.0407 0.0457
Brugia malayi hypothetical protein 0.0211 0.0407 0.0457
Loa Loa (eye worm) hypothetical protein 0.0211 0.0407 0.0457
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0211 0.0407 0.0407
Brugia malayi Trypsin-like protease protein 5 0.0211 0.0407 0.0457
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0211 0.0407 0.1967
Echinococcus granulosus enteropeptidase 0.0211 0.0407 0.1967
Onchocerca volvulus 0.1069 0.8921 1
Onchocerca volvulus 0.0211 0.0407 0.0457
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0211 0.0407 0.0407
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0211 0.0407 0.0407
Brugia malayi Trypsin family protein 0.0211 0.0407 0.0457
Echinococcus granulosus tissue type plasminogen activator 0.0378 0.2072 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0211 0.0407 0.0407
Loa Loa (eye worm) hypothetical protein 0.0195 0.0248 0.0278
Loa Loa (eye worm) hypothetical protein 0.1069 0.8921 1
Brugia malayi Trypsin family protein 0.0211 0.0407 0.0457
Brugia malayi SEA domain containing protein 0.0321 0.1504 0.1686
Schistosoma mansoni hypothetical protein 0.0211 0.0407 0.0407
Onchocerca volvulus 0.0321 0.1504 0.1686
Loa Loa (eye worm) TK/ROR protein kinase 0.0378 0.2072 0.2322
Echinococcus multilocularis glycoprotein Antigen 5 0.0211 0.0407 0.1967
Onchocerca volvulus 0.0321 0.1504 0.1686
Trypanosoma cruzi hypothetical protein, conserved 0.0378 0.2072 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0211 0.0407 0.0407
Brugia malayi Protein kinase domain containing protein 0.0378 0.2072 0.2322
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0211 0.0407 0.1967
Onchocerca volvulus 0.0321 0.1504 0.1686
Toxoplasma gondii PAN domain-containing protein 0.0652 0.478 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0211 0.0407 0.0407
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0211 0.0407 0.1967
Schistosoma mansoni cercarial elastase (S01 family) 0.0211 0.0407 0.0407
Echinococcus multilocularis Mastin 0.0211 0.0407 0.1967
Schistosoma mansoni cercarial elastase (S01 family) 0.0211 0.0407 0.0407
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0211 0.0407 0.0457
Onchocerca volvulus 0.0211 0.0407 0.0457

Activities

No activities found for this compound.

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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