Detailed information for compound 1490137

Basic information

Technical information
  • TDR Targets ID: 1490137
  • Name: N-[4,6-di(thiophen-2-yl)pyrimidin-2-yl]acetam ide
  • MW: 301.387 | Formula: C14H11N3OS2
  • H donors: 1 H acceptors: 3 LogP: 2.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1nc(cc(n1)c1cccs1)c1cccs1
  • InChi: 1S/C14H11N3OS2/c1-9(18)15-14-16-10(12-4-2-6-19-12)8-11(17-14)13-5-3-7-20-13/h2-8H,1H3,(H,15,16,17,18)
  • InChiKey: JTALGRRCVIXTQU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4,6-bis(2-thienyl)pyrimidin-2-yl]acetamide
  • N-[4,6-bis(2-thienyl)-2-pyrimidinyl]acetamide
  • N-[4,6-di(thiophen-2-yl)pyrimidin-2-yl]ethanamide

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 multilocularis dipeptidyl aminopeptidaseprotein 1.0203 1 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 1.0203 1 0.5
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.5452 0.4811 0.5
Loa Loa (eye worm) hypothetical protein 0.2731 0.1838 0.1838
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.3778 0.2982 0.5
Chlamydia trachomatis oxoacyl-ACP synthase III 0.5452 0.4811 0.5
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.5452 0.4811 0.5
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.3778 0.2982 0.5
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.3778 0.2982 0.5
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.5452 0.4811 0.5
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.5452 0.4811 0.5
Brugia malayi prolyl oligopeptidase family protein 0.3778 0.2982 0.1402
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 1.0203 1 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.3778 0.2982 0.5
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.3778 0.2982 0.5
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.3573 0.2758 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.5452 0.4811 0.5
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.5452 0.4811 0.5
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 1.0203 1 1
Loa Loa (eye worm) prolyl oligopeptidase 1.0203 1 1
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.5452 0.4811 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 2 % Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells at 0.1 uM by liquid scintillation counting ChEMBL. 21186795
Inhibition (binding) = 3 % Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells at 0.1 uM by liquid scintillation counting ChEMBL. 21186795
Inhibition (binding) = 5 % Displacement of [3H]ZM2413853 from human adenosine A2A receptor expressed in human HeLa cells at 0.1 uM by liquid scintillation counting ChEMBL. 21186795
Inhibition (binding) = 21 % Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells at 0.1 uM by liquid scintillation counting ChEMBL. 21186795

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

1 literature reference was collected for this gene.

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