Detailed information for compound 867438

Basic information

Technical information
  • TDR Targets ID: 867438
  • Name: N-(4-acetylphenyl)-2-[[4-oxo-3-(2-phenylethyl )-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulf anyl]acetamide
  • MW: 465.588 | Formula: C24H23N3O3S2
  • H donors: 1 H acceptors: 3 LogP: 3.71 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc2CCSc2c(=O)n1CCc1ccccc1
  • InChi: 1S/C24H23N3O3S2/c1-16(28)18-7-9-19(10-8-18)25-21(29)15-32-24-26-20-12-14-31-22(20)23(30)27(24)13-11-17-5-3-2-4-6-17/h2-10H,11-15H2,1H3,(H,25,29)
  • InChiKey: YDWXDYKNQQIZJR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-acetylphenyl)-2-[[4-oxo-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide
  • N-(4-acetylphenyl)-2-[[4-keto-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]thio]acetamide
  • N-(4-ethanoylphenyl)-2-[[4-oxo-3-(2-phenylethyl)-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl]sulfanyl]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
Schistosoma mansoni serine/threonine protein kinase 0.0129 0.6658 0.6658
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.0958 1
Echinococcus multilocularis RNA directed DNA polymerase 0.0115 0.5671 0.5671
Echinococcus granulosus RNA directed DNA polymerase 0.0115 0.5671 0.5671
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0047 0.0958 0.5
Schistosoma mansoni atypical protein kinase C 0.0057 0.1639 0.1639
Trichomonas vaginalis CMGC family protein kinase 0.0047 0.0958 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0047 0.0958 0.1311
Echinococcus multilocularis protein kinase c iota type 0.0057 0.1639 0.1639
Loa Loa (eye worm) hypothetical protein 0.0138 0.731 1
Brugia malayi intracellular kinase 0.0047 0.0958 0.1239
Giardia lamblia Kinase, CMGC GSK 0.0047 0.0958 0.5
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0129 0.6658 0.9108
Echinococcus multilocularis protein kinase shaggy 0.0047 0.0958 0.0958
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0115 0.5671 0.5671
Schistosoma mansoni serine/threonine protein kinase 0.0177 1 1
Echinococcus multilocularis protein kinase c epsilon type 0.0129 0.6658 0.6658
Brugia malayi Protein kinase c protein 2 0.0144 0.7732 1
Echinococcus granulosus protein kinase C gamma type 0.0153 0.8361 0.8361
Plasmodium falciparum glycogen synthase kinase 3 0.0047 0.0958 0.5
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0047 0.0958 1
Entamoeba histolytica protein kinase domain containing protein 0.0047 0.0958 0.3976
Echinococcus granulosus protein kinase c iota type 0.0057 0.1639 0.1639
Entamoeba histolytica protein kinase, putative 0.0047 0.0958 0.3976
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0121 0.6092 0.8335
Plasmodium vivax glycogen synthase kinase 3, putative 0.0047 0.0958 0.5
Loa Loa (eye worm) hypothetical protein 0.0115 0.5671 0.7758
Entamoeba histolytica protein kinase domain containing protein 0.0047 0.0958 0.3976
Schistosoma mansoni serine/threonine protein kinase 0.0177 1 1
Echinococcus granulosus serine:threonine protein kinase N2 0.0068 0.241 0.241
Echinococcus granulosus protein kinase shaggy 0.0047 0.0958 0.0958
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0177 1 1
Brugia malayi protein kinase C II. 0.0129 0.6658 0.8612
Echinococcus multilocularis serine:threonine protein kinase N2 0.0101 0.4679 0.4679
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0047 0.0958 0.0958
Echinococcus multilocularis serine threonine protein kinase 0.0153 0.8361 0.8361
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0047 0.0958 0.5
Giardia lamblia Kinase, CMGC GSK 0.0047 0.0958 0.5
Echinococcus granulosus protein kinase c epsilon type 0.0129 0.6658 0.6658
Trypanosoma brucei protein kinase, putative 0.0047 0.0958 1
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0047 0.0958 0.0958
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0047 0.0958 0.0958
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0047 0.0958 0.1311
Entamoeba histolytica PH domain containing protein kinase, putative 0.0068 0.241 1
Onchocerca volvulus 0.0047 0.0958 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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