Detailed information for compound 912904

Basic information

Technical information
  • TDR Targets ID: 912904
  • Name: N-[2-(4-ethyl-6-oxo-3H-pyrimidin-2-yl)-5-meth ylpyrazol-3-yl]-2-thiophen-2-ylacetamide
  • MW: 343.403 | Formula: C16H17N5O2S
  • H donors: 2 H acceptors: 3 LogP: 1.7 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cc(=O)[nH]c(n1)n1nc(cc1NC(=O)Cc1cccs1)C
  • InChi: 1S/C16H17N5O2S/c1-3-11-8-14(22)19-16(17-11)21-13(7-10(2)20-21)18-15(23)9-12-5-4-6-24-12/h4-8H,3,9H2,1-2H3,(H,18,23)(H,17,19,22)
  • InChiKey: BSLYSKHXFSKGBX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(4-ethyl-6-oxo-3H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-(2-thienyl)acetamide
  • N-[2-(4-ethyl-6-oxo-3H-pyrimidin-2-yl)-5-methyl-3-pyrazolyl]-2-(2-thienyl)acetamide
  • N-[2-(4-ethyl-6-keto-3H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-(2-thienyl)acetamide
  • N-[2-(4-ethyl-6-oxo-3H-pyrimidin-2-yl)-5-methyl-pyrazol-3-yl]-2-thiophen-2-yl-ethanamide
  • ZINC07419862

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
Echinococcus granulosus fructose 16 bisphosphatase 1 0.5681 0.5 0.5
Echinococcus multilocularis fructose 1,6 bisphosphatase 1 0.5681 0.5 0.5
Loa Loa (eye worm) fructose-1,6-bisphosphatase 0.5681 0.5 0.5
Trypanosoma brucei fructose-1,6-bisphosphatase 0.5681 0.5 0.5
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.5681 0.5 0.5
Toxoplasma gondii fructose-bisphospatase II 0.5681 0.5 0.5
Trypanosoma cruzi fructose-1,6-bisphosphatase, cytosolic, putative 0.5681 0.5 0.5
Schistosoma mansoni fructose-16-bisphosphatase-related 0.5681 0.5 0.5
Leishmania major 0.5681 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
(functional) = 0.293 ug/ml In vitro cytotoxicity evaluation on human fibroblasts measured by fluorescence after 72h WHO/TDR. No reference
% motility reduction (functional) = 0 % Motility reduction assay in Schistosoma mansoni Puerto Rican adult worms WHO/TDR. No reference
% motility reduction (functional) = 0 % Motility reduction assay in Onchocerca ochengi adult worms WHO/TDR. No reference
% motility reduction (functional) = 100 % Motility reduction assay in Onchocerca ochengi microfilariae WHO/TDR. No reference
IC50 (functional) = 0.276 ug/ml In vitro activity against Trypanosoma cruzi in human lung fibroblast measured by colorimetry after 7 days WHO/TDR. No reference
IC50 (functional) = 0.276 ug/ml WHO-TDR: Chagas disease ChEMBL. No reference
IC50 = 0.293 ug/ml WHO-TDR: Cytotoxicity ChEMBL. No reference
IC50 (functional) = 0.337590217 ug/ml WHO-TDR: Human African Trypanosomiasis (HAT) ChEMBL. No reference
IC50 (functional) = 0.3375902172 ug/ml In vitro activity against Trypanosoma brucei measured by florescence after 24h WHO/TDR. No reference
IC50 (functional) = 0.493 ug/ml In vitro activity against Plasmodium falciparum measured by colorimetry after 72h WHO/TDR. No reference
IC50 (functional) = 0.493 ug/ml WHO-TDR: Malaria ChEMBL. No reference
IC50 (functional) > 10.302 ug/ml In vitro activity against Leishmania infantum in mouse macrophages measured by cell viability after 5 days WHO/TDR. No reference
IC50 (functional) > 10.302 ug/ml WHO-TDR: Leishmaniasis ChEMBL. No reference
Inhibition (functional) = 0 % WHO-TDR: Schistosomiasis ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Leishmania infantum ChEMBL23
Trypanosoma cruzi ChEMBL23
Trypanosoma brucei gambiense
Plasmodium falciparum

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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