Detailed information for compound 845064

Basic information

Technical information
  • TDR Targets ID: 845064
  • Name: methyl 5-acetyl-2-[(5-chloro-2-propylsulfanyl pyrimidine-4-carbonyl)amino]-4-methylthiophen e-3-carboxylate
  • MW: 427.926 | Formula: C17H18ClN3O4S2
  • H donors: 1 H acceptors: 5 LogP: 4.54 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCSc1ncc(c(n1)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)C)Cl
  • InChi: 1S/C17H18ClN3O4S2/c1-5-6-26-17-19-7-10(18)12(20-17)14(23)21-15-11(16(24)25-4)8(2)13(27-15)9(3)22/h7H,5-6H2,1-4H3,(H,21,23)
  • InChiKey: HUEQDXVMSKYALN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 5-acetyl-2-[(5-chloro-2-propylsulfanyl-pyrimidine-4-carbonyl)amino]-4-methyl-thiophene-3-carboxylate
  • 5-acetyl-2-[[[5-chloro-2-(propylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester
  • 5-acetyl-2-[[5-chloro-2-(propylthio)pyrimidine-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester
  • methyl 2-[(5-chloro-2-propylsulfanyl-pyrimidin-4-yl)carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

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) DOMON domain-containing protein 0.0633 0.5537 0.5537
Echinococcus multilocularis tissue type plasminogen activator 0.0854 1 0.5
Schistosoma mansoni hypothetical protein 0.0633 0.5537 0.4753
Loa Loa (eye worm) hypothetical protein 0.0726 0.7415 0.7415
Onchocerca volvulus 0.0726 0.7415 0.7415
Echinococcus granulosus tissue type plasminogen activator 0.0854 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0438 0.1606 0.1606
Schistosoma mansoni hypothetical protein 0.0854 1 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0854 1 1
Brugia malayi Muscle positioning protein 4 0.0726 0.7415 0.7415
Loa Loa (eye worm) hypothetical protein 0.0854 1 1
Onchocerca volvulus 0.0633 0.5537 0.5537
Toxoplasma gondii kringle domain-containing protein 0.0854 1 0.5
Brugia malayi SEA domain containing protein 0.0633 0.5537 0.5537
Onchocerca volvulus 0.0854 1 1
Plasmodium falciparum cysteine repeat modular protein 1 0.0854 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0633 0.5537 0.5537
Onchocerca volvulus 0.0633 0.5537 0.5537
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0854 1 0.5
Brugia malayi Kringle domain containing protein 0.0854 1 1
Onchocerca volvulus 0.0633 0.5537 0.5537
Trypanosoma cruzi hypothetical protein, conserved 0.0854 1 0.5
Onchocerca volvulus 0.0633 0.5537 0.5537
Leishmania major hypothetical protein, conserved 0.0854 1 0.5

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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