Detailed information for compound 1380468

Basic information

Technical information
  • TDR Targets ID: 1380468
  • Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-7-methyl -5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfo namide
  • MW: 409.48 | Formula: C17H19N3O5S2
  • H donors: 1 H acceptors: 3 LogP: 2.08 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccc(cc1OC)CNS(=O)(=O)c1c(C)nc2n(c1=O)ccs2
  • InChi: 1S/C17H19N3O5S2/c1-4-25-13-6-5-12(9-14(13)24-3)10-18-27(22,23)15-11(2)19-17-20(16(15)21)7-8-26-17/h5-9,18H,4,10H2,1-3H3
  • InChiKey: NENARFOPHOALAF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-ethoxy-3-methoxy-phenyl)methyl]-7-methyl-5-oxo-thiazolo[3,2-a]pyrimidine-6-sulfonamide
  • N-[(4-ethoxy-3-methoxyphenyl)methyl]-7-methyl-5-oxo-6-thiazolo[3,2-a]pyrimidinesulfonamide
  • N-(4-ethoxy-3-methoxy-benzyl)-5-keto-7-methyl-thiazolo[3,2-a]pyrimidine-6-sulfonamide
  • N-[(4-ethoxy-3-methoxy-phenyl)methyl]-7-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-sulfonamide
  • ZINC06859675

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
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0583 0.5
Leishmania major hypothetical protein, conserved 0.0025 0.0583 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2192 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0583 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0583 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0583 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.1286 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0583 0.5
Loa Loa (eye worm) hypothetical protein 0.0033 0.1162 0.36
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0583 0.5
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0104 0.5917 0.5315
Entamoeba histolytica hypothetical protein 0.0035 0.1286 0.5
Brugia malayi hypothetical protein 0.0025 0.0583 0.266
Loa Loa (eye worm) hypothetical protein 0.0049 0.2192 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.01 0.5654 0.5013
Schistosoma mansoni retinoic acid receptor RXR 0.0104 0.5917 0.538
Entamoeba histolytica hypothetical protein 0.0035 0.1286 0.5
Echinococcus multilocularis geminin 0.0165 1 1
Schistosoma mansoni hypothetical protein 0.0035 0.1286 0.014
Entamoeba histolytica hypothetical protein 0.0035 0.1286 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1286 0.014
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0583 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2192 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1162 0.5303
Schistosoma mansoni hypothetical protein 0.0165 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2192 1
Schistosoma mansoni hypothetical protein 0.0165 1 1
Brugia malayi hypothetical protein 0.0035 0.1286 0.5868

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 112.2018 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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