Detailed information for compound 186770

Basic information

Technical information
  • TDR Targets ID: 186770
  • Name: 6-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl ]benzo[c][2,6]naphthyridine-1,5-dione
  • MW: 320.345 | Formula: C18H16N4O2
  • H donors: 1 H acceptors: 3 LogP: 0.91 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nc[nH]c1Cn1ccc2c(c1=O)c1ccccc1n(c2=O)C
  • InChi: 1S/C18H16N4O2/c1-11-14(20-10-19-11)9-22-8-7-13-16(18(22)24)12-5-3-4-6-15(12)21(2)17(13)23/h3-8,10H,9H2,1-2H3,(H,19,20)
  • InChiKey: TYRLDDLJLMTYJB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]benzo[c][2,6]naphthyridine-1,5-quinone
  • 6-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]pyrido[4,3-c]quinoline-1,5-dione
  • 6-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]pyrido[4,3-c]quinoline-1,5-quinone

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 0.0122 0.5484 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0873 0.0873
Loa Loa (eye worm) hypothetical protein 0.0026 0.0873 0.1593
Mycobacterium ulcerans F0F1 ATP synthase subunit A 0.0217 1 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0873 0.1593
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0873 0.0873
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.051 0.051
Loa Loa (eye worm) hypothetical protein 0.0019 0.0561 0.1023
Onchocerca volvulus Huntingtin homolog 0.0122 0.5484 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0873 0.0873
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0873 0.0873
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0561 1
Echinococcus granulosus geminin 0.0169 0.7725 1
Brugia malayi TAR-binding protein 0.0069 0.2941 0.5362
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0873 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0873 0.1593
Loa Loa (eye worm) RNA binding protein 0.0069 0.2941 0.5362
Echinococcus multilocularis tar DNA binding protein 0.0069 0.2941 0.3807
Trypanosoma brucei acetyl-CoA synthetase, putative 0.0008 0 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.051 0.051
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0561 0.0561
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0069 0.2941 0.5362
Schistosoma mansoni hypothetical protein 0.0052 0.2105 0.2105
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0873 1
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0873 1
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0 0.5
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0873 1
Wolbachia endosymbiont of Brugia malayi ATP synthase F0F1 subunit A 0.0217 1 0.5
Brugia malayi hypothetical protein 0.0122 0.5484 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2941 0.2941
Loa Loa (eye worm) hypothetical protein 0.0122 0.5484 1
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2941 0.2941
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0873 0.0873
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0 0.5
Schistosoma mansoni hypothetical protein 0.0169 0.7725 0.7725
Onchocerca volvulus 0.0026 0.0873 0.1593
Mycobacterium tuberculosis Probable ATP synthase a chain AtpB (protein 6) 0.0217 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0873 0.0873
Trypanosoma cruzi acetyl-CoA synthetase, putative 0.0008 0 0.5
Schistosoma mansoni ATP synthase F0 subunit 6 0.0217 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0561 0.1023
Brugia malayi RNA recognition motif domain containing protein 0.0069 0.2941 0.5362
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0873 0.0873
Schistosoma mansoni hypothetical protein 0.0169 0.7725 0.7725
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0561 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.051 0.051
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2941 0.2941
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0873 0.0873
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0873 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0561 0.1023
Loa Loa (eye worm) hypothetical protein 0.0026 0.0873 0.1593
Mycobacterium ulcerans hypothetical protein 0.0026 0.0873 0.0873
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0873 0.0873
Toxoplasma gondii Acetyl-coenzyme A synthetase 2, putative 0.0008 0 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0873 0.0873
Loa Loa (eye worm) TAR-binding protein 0.0069 0.2941 0.5362
Trypanosoma cruzi long-chain-fatty-acid-CoA ligase, putative 0.0008 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0561 0.1023
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0561 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0561 0.1023
Toxoplasma gondii AMP-binding enzyme domain-containing protein 0.0008 0 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.051 0.051
Trypanosoma brucei long-chain-fatty-acid-CoA ligase, putative 0.0008 0 0.5
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0873 1
Brugia malayi RNA binding protein 0.0069 0.2941 0.5362
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2941 0.2941
Toxoplasma gondii propionate-CoA ligase 0.0008 0 0.5
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0873 0.1593
Echinococcus multilocularis geminin 0.0169 0.7725 1
Trichomonas vaginalis antibiotic synthetase, putative 0.0008 0 0.5
Echinococcus granulosus tar DNA binding protein 0.0069 0.2941 0.3807
Schistosoma mansoni tar DNA-binding protein 0.0069 0.2941 0.2941
Onchocerca volvulus Huntingtin homolog 0.0122 0.5484 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0873 0.0873
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0561 0.0561
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0873 0.1593

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) = 0.23 ug kg-1 Inhibitory activity against Bezold-jarisch functional assay, inducing a transient bradicardia upon intravenous administration of 5-hydroxytryptamine(10 ug/kg) in anesthetized rats. ChEMBL. 1527780

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.

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