Detailed information for compound 875610

Basic information

Technical information
  • TDR Targets ID: 875610
  • Name: ethyl 3-(3,4-dihydro-1H-isoquinolin-2-ylmethy l)-2-methyl-4-oxo-1H-quinoline-6-carboxylate
  • MW: 376.448 | Formula: C23H24N2O3
  • H donors: 1 H acceptors: 3 LogP: 3.82 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc2c(c1)c(O)c(c(n2)C)CN1CCc2c(C1)cccc2
  • InChi: 1S/C23H24N2O3/c1-3-28-23(27)17-8-9-21-19(12-17)22(26)20(15(2)24-21)14-25-11-10-16-6-4-5-7-18(16)13-25/h4-9,12H,3,10-11,13-14H2,1-2H3,(H,24,26)
  • InChiKey: QNJMJDHXKOZDLV-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methyl-4-oxo-1H-quinoline-6-carboxylic acid ethyl ester
  • 3-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-4-keto-2-methyl-1H-quinoline-6-carboxylic acid ethyl ester
  • ST5206160

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 topoisomerase II beta, putative 0.0998 0.8818 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.077 0.077
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0805 0.6773 1
Leishmania major mitochondrial DNA topoisomerase II 0.0873 0.7492 0.8496
Plasmodium falciparum DNA gyrase subunit A 0.0202 0.0403 0.0403
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0873 0.7492 0.8496
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0365 0.2124 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.111 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0745 0.6138 0.6138
Loa Loa (eye worm) hypothetical protein 0.0276 0.1181 0.1181
Loa Loa (eye worm) TOPoisomerase family member 0.111 1 1
Leishmania major DNA topoisomerase ii 0.0998 0.8818 1
Plasmodium vivax DNA gyrase subunit B, putative 0.0365 0.2124 0.2124
Brugia malayi Probable DNA topoisomerase II 0.111 1 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0805 0.6773 1
Chlamydia trachomatis DNA gyrase subunit B 0.0602 0.4632 1
Loa Loa (eye worm) hypothetical protein 0.0745 0.6138 0.6138
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0873 0.7492 0.8496
Brugia malayi DNA topoisomerase II, alpha isozyme 0.111 1 1
Echinococcus granulosus DNA topoisomerase 2 alpha 0.111 1 1
Giardia lamblia DNA topoisomerase II 0.1061 0.9481 0.5
Toxoplasma gondii DNA topoisomerase 2, putative 0.111 1 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0365 0.2124 0.2124
Plasmodium falciparum DNA gyrase subunit B 0.0365 0.2124 0.2124
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0202 0.0403 0.0403
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0998 0.8818 1
Entamoeba histolytica DNA topoisomerase II, putative 0.111 1 0.5
Schistosoma mansoni alzheimer's disease beta-amyloid related 0.0238 0.0776 0.0191
Toxoplasma gondii MAPEG family protein 0.0221 0.0597 0.0597
Plasmodium vivax DNA gyrase subunit A, putative 0.0202 0.0403 0.0403
Mycobacterium ulcerans DNA gyrase subunit B 0.0365 0.2124 1
Loa Loa (eye worm) hypothetical protein 0.0514 0.3695 0.3695
Trypanosoma cruzi DNA topoisomerase II, putative 0.0998 0.8818 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.077 0.077
Brugia malayi Amyloid A4 extracellular domain containing protein 0.0652 0.5157 0.5157
Plasmodium vivax DNA topoisomerase II, putative 0.111 1 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.077 0.077
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0365 0.2124 1
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0365 0.2124 1
Plasmodium falciparum DNA topoisomerase 2 0.111 1 1
Schistosoma mansoni DNA topoisomerase II 0.111 1 1
Loa Loa (eye worm) hypothetical protein 0.0491 0.3451 0.3451
Chlamydia trachomatis DNA gyrase subunit B 0.0365 0.2124 0.407
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0805 0.6773 1
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0963 0.845 0.8351
Trypanosoma cruzi DNA topoisomerase II, putative 0.0998 0.8818 1
Loa Loa (eye worm) hypothetical protein 0.0491 0.3451 0.3451
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.111 1 1

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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