Detailed information for compound 1509788

Basic information

Technical information
  • TDR Targets ID: 1509788
  • Name: ZINC00105922
  • MW: 304.343 | Formula: C19H16N2O2
  • H donors: 1 H acceptors: 2 LogP: 2.77 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNc1c(=O)n(C)c2c3c1c1ccccc1c(=O)c3ccc2
  • InChi: 1S/C19H16N2O2/c1-3-20-17-16-11-7-4-5-8-12(11)18(22)13-9-6-10-14(15(13)16)21(2)19(17)23/h4-10,20H,3H2,1-2H3
  • InChiKey: AVFQMEROHOFTEF-UHFFFAOYSA-N  

Network

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Synonyms

  • A3103/0131407
  • IDI1_011052
  • EU-0016862
  • 1-(ethylamino)-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
  • MLS000043530
  • SMR000020347
  • IFLab1_005649

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens mitogen-activated protein kinase kinase kinase 5 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni protein kinase Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum expressed protein Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum Mitogen-activated protein kinase kinase kinase 15, putative Get druggable targets OG5_130258 All targets in OG5_130258
Echinococcus granulosus mitogen activated protein kinase kinase kinase Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma mansoni protein kinase Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum Mitogen-activated protein kinase kinase kinase 15, putative Get druggable targets OG5_130258 All targets in OG5_130258
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative Get druggable targets OG5_130258 All targets in OG5_130258
Loa Loa (eye worm) STE/STE11/ASK protein kinase Get druggable targets OG5_130258 All targets in OG5_130258
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130258 All targets in OG5_130258
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum IPR000719,Protein kinase;IPR011009,Protein kinase-like,domain-containing Get druggable targets OG5_130258 All targets in OG5_130258
Brugia malayi Neuronal symmetry protein 1 Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum IPR010993,Sterile alpha motif homology,domain-containing Get druggable targets OG5_130258 All targets in OG5_130258
Schistosoma japonicum ko:K04426 mitogen-activated protein kinase kinase kinase 5, putative Get druggable targets OG5_130258 All targets in OG5_130258
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative Get druggable targets OG5_130258 All targets in OG5_130258
Echinococcus multilocularis mitogen activated protein kinase kinase kinase Get druggable targets OG5_130258 All targets in OG5_130258

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
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0295 0.2541 0.5
Plasmodium falciparum DNA gyrase subunit B 0.0533 0.5291 0.3687
Leishmania major mitochondrial DNA topoisomerase II 0.0295 0.2541 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0533 0.5291 0.4508
Chlamydia trachomatis DNA gyrase subunit B 0.0533 0.5291 0.5123
Loa Loa (eye worm) hypothetical protein 0.0105 0.0344 0.1355
Plasmodium vivax DNA gyrase subunit B, putative 0.0533 0.5291 0.3687
Brugia malayi Probable DNA topoisomerase II 0.0295 0.2541 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.0295 0.2541 0.5
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0295 0.2541 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0295 0.2541 1
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0295 0.2541 1
Trypanosoma brucei DNA topoisomerase ii 0.0295 0.2541 1
Loa Loa (eye worm) TOPoisomerase family member 0.0295 0.2541 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0237 0.1869 0.7355
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0295 0.2541 1
Chlamydia trachomatis DNA gyrase subunit B 0.0533 0.5291 0.5123
Schistosoma mansoni DNA topoisomerase II 0.0295 0.2541 1
Giardia lamblia DNA topoisomerase II 0.027 0.2246 0.5
Loa Loa (eye worm) hypothetical protein 0.0132 0.0652 0.2564
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0295 0.2541 0.5
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0295 0.2541 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0295 0.2541 0.5
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0409 0.3862 0.5
Toxoplasma gondii DNA topoisomerase 2, putative 0.0295 0.2541 0.1404
Loa Loa (eye worm) hypothetical protein 0.0132 0.0652 0.2564
Trypanosoma cruzi DNA topoisomerase II, putative 0.0237 0.1869 0.7355
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0533 0.5291 0.4508
Entamoeba histolytica DNA topoisomerase II, putative 0.0295 0.2541 0.5
Loa Loa (eye worm) hypothetical protein 0.0249 0.2009 0.7903
Loa Loa (eye worm) hypothetical protein 0.0105 0.0344 0.1355
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0295 0.2541 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 10 uM Competitive inhibition of human ASK1 ChEMBL. 21449566

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.