Detailed information for compound 863231

Basic information

Technical information
  • TDR Targets ID: 863231
  • Name: 2,3-dimethyl-N-(3-methylbutyl)-4H-thieno[2,3- d]thiopyran-6-carboxamide
  • MW: 295.463 | Formula: C15H21NOS2
  • H donors: 1 H acceptors: 1 LogP: 4.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CCNC(=O)C1=Cc2c(CS1)c(c(s2)C)C)C
  • InChi: 1S/C15H21NOS2/c1-9(2)5-6-16-15(17)14-7-13-12(8-18-14)10(3)11(4)19-13/h7,9H,5-6,8H2,1-4H3,(H,16,17)
  • InChiKey: MVKKEOZAIVJRRO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-isopentyl-2,3-dimethyl-4H-thieno[2,3-d]thiopyran-6-carboxamide
  • N-isoamyl-2,3-dimethyl-4H-thieno[2,3-d]thiopyran-6-carboxamide

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 NADP dependent isocitrate dehydrogenase 0.0016 0.0449 0.0449
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.1388 0.1826
Echinococcus multilocularis nuclear factor of activated T cells 5 0.0226 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0368 0.0702
Schistosoma mansoni ankyrin 23/unc44 0.0015 0.0382 0.0503
Brugia malayi Isocitrate dehydrogenase 0.0016 0.0449 0.0855
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.1388 0.1388
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0121 0.5247 1
Schistosoma mansoni hypothetical protein 0.0037 0.1388 0.1826
Schistosoma mansoni netrin receptor unc5 0.0015 0.0382 0.0503
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0121 0.5247 1
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0121 0.5247 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0388 0.074
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0121 0.5247 1
Loa Loa (eye worm) hypothetical protein 0.002 0.0626 0.1193
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0121 0.5247 1
Echinococcus granulosus netrin receptor unc 5 0.0015 0.0382 0.0382
Leishmania major eukaryotic initiation factor 4a, putative 0.0121 0.5247 1
Brugia malayi Plexin repeat family protein 0.0034 0.1281 0.2441
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0121 0.5247 0.5247
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0015 0.0382 0.0729
Echinococcus multilocularis netrin receptor unc 5 0.0015 0.0382 0.0382
Onchocerca volvulus Netrin receptor homolog 0.0015 0.0382 0.0029
Echinococcus granulosus semaphorin 1A 0.0014 0.0368 0.0368
Brugia malayi hypothetical protein 0.0037 0.1388 0.2646
Loa Loa (eye worm) isocitrate dehydrogenase 0.0016 0.0449 0.0855
Brugia malayi hypothetical protein 0.0014 0.0368 0.0702
Plasmodium falciparum eukaryotic initiation factor 4A 0.0121 0.5247 1
Brugia malayi hypothetical protein 0.0014 0.0368 0.0702
Echinococcus granulosus semaphorin 5B 0.0014 0.0368 0.0368
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0121 0.5247 0.69
Loa Loa (eye worm) hypothetical protein 0.0014 0.0368 0.0702
Entamoeba histolytica hypothetical protein 0.0037 0.1388 0.2646
Loa Loa (eye worm) hypothetical protein 0.0015 0.0382 0.0729
Schistosoma mansoni retinoblastoma-binding protein 4 (rbbp4) 0.0015 0.0388 0.051
Brugia malayi Death domain containing protein 0.0015 0.0382 0.0729
Echinococcus multilocularis plexin a4 0.0041 0.1568 0.1568
Loa Loa (eye worm) hypothetical protein 0.0121 0.5247 1
Echinococcus multilocularis hypothetical protein 0.0014 0.0368 0.0368
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0121 0.5247 0.5247
Entamoeba histolytica tyrosin kinase, putative 0.0008 0.0077 0.0146
Schistosoma mansoni plexin 0.0034 0.1281 0.1685
Brugia malayi Protein kinase domain containing protein 0.0015 0.0382 0.0729
Echinococcus multilocularis semaphorin 5B 0.0014 0.0368 0.0368
Echinococcus granulosus Ankyrin 0.0015 0.0388 0.0388
Echinococcus multilocularis isocitrate dehydrogenase 0.0016 0.0449 0.0449
Echinococcus granulosus plexin a4 0.0041 0.1568 0.1568
Schistosoma mansoni semaphorin 5-related 0.0014 0.0368 0.0484
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0016 0.0449 0.0449
Schistosoma mansoni hypothetical protein 0.0015 0.0382 0.0503
Schistosoma mansoni hypothetical protein 0.0014 0.0368 0.0484
Loa Loa (eye worm) plexin A 0.0041 0.1568 0.2989
Loa Loa (eye worm) hypothetical protein 0.0014 0.0368 0.0702
Brugia malayi eukaryotic initiation factor 4A 0.0121 0.5247 1
Entamoeba histolytica hypothetical protein 0.0037 0.1388 0.2646
Echinococcus multilocularis geminin 0.0173 0.7603 0.7603
Brugia malayi Uncoordinated protein 44 0.0015 0.0382 0.0729
Onchocerca volvulus 0.0034 0.1281 0.1871
Loa Loa (eye worm) hypothetical protein 0.0034 0.1281 0.2441
Loa Loa (eye worm) hypothetical protein 0.0014 0.0368 0.0702
Schistosoma mansoni hypothetical protein 0.0173 0.7603 1
Entamoeba histolytica hypothetical protein 0.0037 0.1388 0.2646
Loa Loa (eye worm) sema domain-containing protein 0.0014 0.0368 0.0702
Echinococcus multilocularis Ankyrin 0.0015 0.0388 0.0388
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.1388 0.1388
Treponema pallidum ATP-dependent RNA helicase 0.0121 0.5247 0.5
Plasmodium vivax RNA helicase-1, putative 0.0121 0.5247 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0016 0.0449 0.0449
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0121 0.5247 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0121 0.5247 0.5247
Echinococcus granulosus geminin 0.0173 0.7603 0.7603
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0449 0.0449
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0121 0.5247 1
Schistosoma mansoni hypothetical protein 0.0173 0.7603 1
Echinococcus multilocularis ankyrin repeat and death domain containing protein 0.0015 0.0382 0.0382
Brugia malayi Immunoglobulin I-set domain containing protein 0.0015 0.0382 0.0729
Schistosoma mansoni hypothetical protein 0.0014 0.0368 0.0484
Brugia malayi plexin A 0.0041 0.1568 0.2989
Schistosoma mansoni plexin 0.002 0.0626 0.0823
Echinococcus granulosus ankyrin repeat and death domain containing protein 0.0015 0.0382 0.0382
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0016 0.0449 0.0449
Entamoeba histolytica protein kinase domain containing protein 0.0008 0.0077 0.0146
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0016 0.0449 0.059
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0121 0.5247 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0121 0.5247 0.5247
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0121 0.5247 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0368 0.0702
Brugia malayi isocitrate dehydrogenase 0.0016 0.0449 0.0855
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0121 0.5247 0.69
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0121 0.5247 0.5
Brugia malayi Sema domain containing protein 0.0014 0.0368 0.0702
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0121 0.5247 1
Loa Loa (eye worm) sema domain-containing protein 0.0014 0.0368 0.0702
Leishmania major eukaryotic initiation factor 4a, putative 0.0121 0.5247 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0368 0.0702
Echinococcus granulosus death domain containing protein 0.0015 0.0382 0.0382
Entamoeba histolytica hypothetical protein 0.0037 0.1388 0.2646
Brugia malayi Sema domain containing protein 0.0014 0.0368 0.0702
Schistosoma mansoni hypothetical protein 0.002 0.0626 0.0823

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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