Detailed information for compound 869157

Basic information

Technical information
  • TDR Targets ID: 869157
  • Name: ethyl 3-[[3-(4-methylphenyl)6,7,8,9-tetrahydr o-5H-imidazo[1,5-a]azepine-1-carbonyl]amino]b enzoate
  • MW: 417.5 | Formula: C25H27N3O3
  • H donors: 1 H acceptors: 3 LogP: 4.5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cccc(c1)NC(=O)c1nc(n2c1CCCCC2)c1ccc(cc1)C
  • InChi: 1S/C25H27N3O3/c1-3-31-25(30)19-8-7-9-20(16-19)26-24(29)22-21-10-5-4-6-15-28(21)23(27-22)18-13-11-17(2)12-14-18/h7-9,11-14,16H,3-6,10,15H2,1-2H3,(H,26,29)
  • InChiKey: BGYWSAWLKDOUKT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]-oxomethyl]amino]benzoic acid ethyl ester
  • 3-[[3-(4-methylphenyl)6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepine-1-carbonyl]amino]benzoic acid ethyl ester
  • ethyl 3-[[3-(4-methylphenyl)-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-1-yl]carbonylamino]benzoate

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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0025 0.5
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0025 0.5
Loa Loa (eye worm) protein-tyrosine phosphatase 0.0364 0.88 0.88
Echinococcus granulosus follistatin 0.0019 0.003 0.0035
Onchocerca volvulus 0.0027 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0411 1 1
Brugia malayi hypothetical protein 0.0027 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0027 0.0249 0.0249
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0019 0.003 0.0253
Loa Loa (eye worm) hypothetical protein 0.0027 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0027 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0019 0.003 0.003
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0025 0.5
Echinococcus multilocularis agrin 0.0019 0.003 0.0035
Brugia malayi Protein-tyrosine phosphatase containing protein 0.0364 0.88 0.88
Loa Loa (eye worm) hypothetical protein 0.0019 0.003 0.003
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0025 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.003 0.003
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.0364 0.88 1
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0019 0.003 0.003
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0027 0.0249 0.0283
Toxoplasma gondii transporter, major facilitator family protein 0.0027 0.0249 1
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0019 0.003 0.0253
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0025 0.5
Loa Loa (eye worm) agrin synaptic family protein 0.0019 0.003 0.003
Onchocerca volvulus 0.0019 0.003 0.003
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0018 0.0025 0.5
Onchocerca volvulus 0.0027 0.0249 0.0249
Onchocerca volvulus 0.0027 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0027 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0027 0.0249 0.0249
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0019 0.003 0.0253
Loa Loa (eye worm) hypothetical protein 0.0027 0.0249 0.0249
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.0364 0.88 1
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0019 0.003 0.003
Onchocerca volvulus 0.0027 0.0249 0.0249
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0025 0.5
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0019 0.003 0.0253
Brugia malayi SPARC precursor 0.0019 0.003 0.003
Brugia malayi sodium-independent organic anion transporter family protein 0.0027 0.0249 0.0249
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.0364 0.88 1
Schistosoma mansoni agrin 0.0019 0.003 0.0035
Brugia malayi secreted modular calcium-binding protein 1 0.0019 0.003 0.003
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0025 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0025 0.5
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0027 0.0249 0.0283
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0025 0.0025
Echinococcus multilocularis follistatin 0.0019 0.003 0.0035
Onchocerca volvulus Putative organic anion transporter 0.0027 0.0249 0.0249
Echinococcus multilocularis expressed protein 0.0019 0.003 0.0035
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0027 0.0249 0.0249
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0025 0.0028
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0027 0.0249 0.0283
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0025 0.5
Onchocerca volvulus Putative organic anion transporter 0.0027 0.0249 0.0249
Brugia malayi sodium-independent organic anion transporter family protein 0.0027 0.0249 0.0249
Onchocerca volvulus 0.0027 0.0249 0.0249
Loa Loa (eye worm) hypothetical protein 0.0019 0.003 0.003
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0019 0.003 0.003
Toxoplasma gondii protease inhibitor PI2 0.0019 0.003 0.0253
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0025 0.0028
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0019 0.003 0.003
Onchocerca volvulus Putative organic anion transporter 0.0411 1 1
Echinococcus granulosus agrin 0.0019 0.003 0.0035
Brugia malayi hypothetical protein 0.0027 0.0249 0.0249
Schistosoma mansoni follistatin 0.0019 0.003 0.0035
Schistosoma mansoni ap endonuclease 0.0018 0.0025 0.0028
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0025 0.5
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0019 0.003 0.003
Schistosoma mansoni organic anion transporter 0.0027 0.0249 0.0283
Schistosoma mansoni organic anion transporter 0.0027 0.0249 0.0283
Brugia malayi sodium-independent organic anion transporter family protein 0.0027 0.0249 0.0249
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0025 0.0025
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0025 0.5
Schistosoma mansoni ap endonuclease 0.0018 0.0025 0.0028
Trypanosoma cruzi MFS transporter, putative 0.0027 0.0249 1
Echinococcus granulosus Solute carrier organic anion transporter family 0.0027 0.0249 0.0283

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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