Detailed information for compound 863428

Basic information

Technical information
  • TDR Targets ID: 863428
  • Name: N-(4-chlorophenyl)-7-methyl-6,7,8,9-tetrahydr o-1H-thiopyrano[4,5-b][1]benzothiole-3-carbox amide
  • MW: 375.935 | Formula: C19H18ClNOS2
  • H donors: 1 H acceptors: 1 LogP: 5.56 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCc2c(C1)sc1c2CSC(=C1)C(=O)Nc1ccc(cc1)Cl
  • InChi: 1S/C19H18ClNOS2/c1-11-2-7-14-15-10-23-18(9-17(15)24-16(14)8-11)19(22)21-13-5-3-12(20)4-6-13/h3-6,9,11H,2,7-8,10H2,1H3,(H,21,22)
  • InChiKey: LRUKRISMZZUPRU-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-chlorophenyl)-7-methyl-6,7,8,9-tetrahydro-1H-thiopyrano[4,5-b]benzothiophene-3-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
Loa Loa (eye worm) hypothetical protein 0.0558 0.2575 0.266
Loa Loa (eye worm) hypothetical protein 0.0102 0.0294 0.0303
Leishmania major delta-5 fatty acid desaturase 0.062 0.2886 0.2818
Echinococcus granulosus geminin 0.0116 0.0362 1
Echinococcus multilocularis muscleblind protein 1 0.0102 0.0294 0.8108
Echinococcus multilocularis transcription factor eb 0.0074 0.0152 0.4203
Leishmania major delta-6 fatty acid desaturase 0.0064 0.0104 0.001
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0062 0.0094 0.2594
Loa Loa (eye worm) hypothetical protein 0.0073 0.015 0.0155
Loa Loa (eye worm) MH2 domain-containing protein 0.0081 0.0191 0.0198
Loa Loa (eye worm) fatty acid desaturase 0.0062 0.0094 0.0097
Schistosoma mansoni hypothetical protein 0.0116 0.0362 0.1251
Brugia malayi Delta5 fatty acid desaturase 0.062 0.2886 0.2981
Trypanosoma cruzi fatty acid desaturase, putative 0.2042 1 1
Echinococcus multilocularis geminin 0.0116 0.0362 1
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.1978 0.968 0.5
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0062 0.0094 0.5
Plasmodium falciparum stearoyl-CoA desaturase 0.1978 0.968 0.5
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0064 0.0104 0.001
Brugia malayi Fatty acid desaturase family protein 0.0062 0.0094 0.0097
Echinococcus multilocularis muscleblind protein 0.0102 0.0294 0.8108
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0062 0.0094 0.2594
Brugia malayi Muscleblind-like protein 0.0102 0.0294 0.0303
Onchocerca volvulus 0.204 0.999 1
Loa Loa (eye worm) FAT-3 protein 0.062 0.2886 0.2981
Mycobacterium ulcerans hypothetical protein 0.0064 0.0104 1
Echinococcus granulosus Fatty acid desaturase type 1 0.0062 0.0094 0.2594
Loa Loa (eye worm) fatty acid desaturase 0.0062 0.0094 0.0097
Leishmania major fatty-acid desaturase, putative 0.2042 1 1
Echinococcus granulosus muscleblind protein 0.0102 0.0294 0.8108
Echinococcus granulosus transcription factor eb 0.0074 0.0152 0.4203
Trypanosoma cruzi fatty acid desaturase, putative 0.198 0.969 0.9687
Trypanosoma brucei fatty acid desaturase, putative 0.2042 1 1
Mycobacterium tuberculosis Probable conserved membrane protein 0.0064 0.0104 1
Schistosoma mansoni hypothetical protein 0.0116 0.0362 0.1251
Loa Loa (eye worm) acyl-CoA desaturase 0.1978 0.968 1
Onchocerca volvulus 0.204 0.999 1
Loa Loa (eye worm) transcription factor SMAD2 0.0081 0.0191 0.0198
Brugia malayi Fatty acid desaturase family protein 0.0062 0.0094 0.0097
Trypanosoma cruzi fatty acid desaturase, putative 0.198 0.969 0.9687
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0062 0.0094 0.2594
Brugia malayi MH2 domain containing protein 0.0081 0.0191 0.0198
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0074 0.0152 0.0157
Brugia malayi acyl-CoA desaturase 0.1978 0.968 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.0294 0.0303
Schistosoma mansoni fatty acid desaturase 0.0622 0.2895 1
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0073 0.015 0.0155
Loa Loa (eye worm) hypothetical protein 0.062 0.2886 0.2981
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0062 0.0094 0.2594
Trypanosoma cruzi delta-4 fatty acid desaturase, putative 0.0064 0.0104 0.001

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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