Detailed information for compound 630418

Basic information

Technical information
  • TDR Targets ID: 630418
  • Name: N-(3-cyano-6-methyl-4,5,6,7-tetrahydro-1-benz othiophen-2-yl)pyridine-3-carboxamide
  • MW: 297.375 | Formula: C16H15N3OS
  • H donors: 1 H acceptors: 3 LogP: 3.64 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(NC(=O)c2cccnc2)sc2c1CCC(C2)C
  • InChi: 1S/C16H15N3OS/c1-10-4-5-12-13(8-17)16(21-14(12)7-10)19-15(20)11-3-2-6-18-9-11/h2-3,6,9-10H,4-5,7H2,1H3,(H,19,20)
  • InChiKey: SRTGPBDVTXVGGH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)pyridine-3-carboxamide
  • N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-3-pyridinecarboxamide
  • N-(3-cyano-6-methyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)nicotinamide
  • 4109-40-4
  • CBMicro_028690
  • BIM-0028599.P001
  • BAS 06855390
  • N-(3-Cyano-6-methyl-4,5,6,7-tetrahydro-benzo[b]thiophen-2-yl)-nicotinamide
  • ST5190454
  • Oprea1_727514

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
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0865 0.1904
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0865 0.0189
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0794 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0865 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0.0865 1
Leishmania major DNA polymerase kappa, putative 0.0021 0.0865 0.0189
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0865 0.0189
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0865 0.0189
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0865 0.1904
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0794 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0865 0.1904
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0865 0.0189
Loa Loa (eye worm) hypothetical protein 0.009 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.0049 0.4541 1
Mycobacterium ulcerans DNA polymerase IV 0.0021 0.0865 1
Echinococcus granulosus dna polymerase kappa 0.0021 0.0865 0.0189
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0865 0.0077
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0794 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0794 0.1747
Leishmania major DNA polymerase eta, putative 0.0034 0.262 0.4874
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0865 0.1904
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0865 0.0189
Brugia malayi ImpB/MucB/SamB family protein 0.0049 0.4541 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0865 0.0189
Leishmania major DNA polymerase eta, putative 0.0049 0.4541 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0049 0.4541 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0865 0.0189
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0865 0.1904
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.262 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0865 0.1904
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0865 0.1904
Echinococcus granulosus dna polymerase eta 0.0049 0.4541 1
Trypanosoma brucei unspecified product 0.0021 0.0865 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0865 0.1904
Trypanosoma brucei DNA polymerase IV, putative 0.0021 0.0865 0.1904
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0865 0.0189
Entamoeba histolytica Acid sphingomyelinase-like phosphodiesterase, putative 0.009 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0.0865 1
Giardia lamblia DINP protein human, muc B family 0.0021 0.0865 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.262 0.4874
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0794 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0865 0.0077
Schistosoma mansoni DNA polymerase eta 0.0049 0.4541 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0865 0.1904
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0865 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0865 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0865 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0865 0.1904
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0865 1
Echinococcus multilocularis dna polymerase eta 0.0049 0.4541 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0865 0.0189
Loa Loa (eye worm) hypothetical protein 0.0049 0.4541 0.4071
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0865 0.0189
Trypanosoma cruzi DNA polymerase kappa, putative 0.0021 0.0865 0.0189

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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