Detailed information for compound 286180

Basic information

Technical information
  • TDR Targets ID: 286180
  • Name: 6-nitroquinoline
  • MW: 174.156 | Formula: C9H6N2O2
  • H donors: 0 H acceptors: 3 LogP: 2.02 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc2c(c1)cccn2
  • InChi: 1S/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6H
  • InChiKey: SMHPLBXIVNQFBA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 613-50-3
  • ST5036739
  • N24005_ALDRICH
  • InChI=1/C9H6N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h1-6
  • AC-907/25014227
  • ZINC00331721
  • Oprea1_756562
  • 5-20-07-00326 (Beilstein Handbook Reference)
  • AI3-08863
  • BRN 0136138
  • CCRIS 456
  • EINECS 210-346-6
  • NSC 4141
  • NSC4141
  • Quinoline, 6-nitro-
  • Oprea1_316994

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
Echinococcus multilocularis heat shock protein 90 0.0178 0.037 0.0822
Plasmodium falciparum heat shock protein 90 0.0178 0.037 1
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Brugia malayi Endoplasmin precursor 0.0178 0.037 0.0153
Entamoeba histolytica heat shock protein 90, putative 0.0178 0.037 1
Trypanosoma brucei heat shock protein 90, putative 0.0178 0.037 0.0153
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Schistosoma mansoni endoplasmin 0.0178 0.037 0.5753
Onchocerca volvulus Matrix metalloproteinase homolog 0.0381 0.1129 1
Echinococcus granulosus endoplasmin 0.0158 0.0295 0.041
Trypanosoma cruzi heat shock protein 90, putative 0.0178 0.037 0.0315
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Leishmania major C-8 sterol isomerase-like protein 0.2759 1 1
Trypanosoma brucei heat shock protein 90, putative 0.0178 0.037 0.0153
Loa Loa (eye worm) hypothetical protein 0.0209 0.0487 0.0273
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Plasmodium vivax heat shock protein 86, putative 0.0178 0.037 1
Echinococcus multilocularis heat shock protein 90 0.015 0.0266 0.0248
Brugia malayi Matrixin family protein 0.0172 0.0348 0.013
Trichomonas vaginalis heat shock protein, putative 0.0158 0.0295 0.7866
Loa Loa (eye worm) hypothetical protein 0.141 0.4967 0.4854
Onchocerca volvulus 0.0244 0.0616 0.4349
Brugia malayi Matrixin family protein 0.0172 0.0348 0.013
Echinococcus granulosus heat shock protein 90 0.015 0.0266 0.0248
Trypanosoma cruzi heat shock protein 90, putative 0.015 0.0266 0.021
Toxoplasma gondii heat shock protein HSP90 0.0178 0.037 1
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Echinococcus multilocularis endoplasmin 0.0158 0.0295 0.041
Echinococcus granulosus heat shock protein 0.0178 0.037 0.0822
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0209 0.0487 0.0273
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Trichomonas vaginalis endoplasmin, putative 0.0112 0.0123 0.2973
Schistosoma mansoni heat shock protein 0.0178 0.037 0.5753
Schistosoma mansoni endoplasmin 0.0178 0.037 0.5753
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.015 0.0266 0.0248
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Loa Loa (eye worm) matrix metalloproteinase 0.0172 0.0348 0.013
Loa Loa (eye worm) matrixin family protein 0.0416 0.1257 0.106
Trichomonas vaginalis heat shock protein, putative 0.0158 0.0295 0.7866
Brugia malayi Hemopexin family protein 0.0244 0.0616 0.0404
Treponema pallidum heat shock protein 90 0.0158 0.0295 0.5
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0158 0.0295 0.0076
Giardia lamblia Heat shock protein HSP 90-alpha 0.0178 0.037 1
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Loa Loa (eye worm) matrixin family protein 0.0381 0.1129 0.0929
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Onchocerca volvulus 0.0172 0.0348 0.1398
Trichomonas vaginalis heat shock protein, putative 0.015 0.0266 0.7027
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Giardia lamblia Grp94/Hsp90 0.0158 0.0295 0.282
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Loa Loa (eye worm) endoplasmin 0.0178 0.037 0.0153
Loa Loa (eye worm) hypothetical protein 0.0172 0.0348 0.013
Toxoplasma gondii heat shock protein 75, putative 0.0138 0.0221 0.5351
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Loa Loa (eye worm) hypothetical protein 0.0172 0.0348 0.013
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0625 0.2039 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0251 0.0644 1
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Loa Loa (eye worm) hypothetical protein 0.0172 0.0348 0.013
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Loa Loa (eye worm) hypothetical protein 0.2759 1 1
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Toxoplasma gondii heat shock protein 90, putative 0.0178 0.037 1
Brugia malayi Matrixin family protein 0.0172 0.0348 0.013
Brugia malayi heat shock protein 90 0.0178 0.037 0.0153
Brugia malayi Matrixin family protein 0.0416 0.1257 0.106
Loa Loa (eye worm) heat shock protein 90 0.0178 0.037 0.0153
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Onchocerca volvulus Matrilysin homolog 0.0381 0.1129 1
Trypanosoma cruzi heat shock protein 85, putative 0.0178 0.037 0.0315
Trichomonas vaginalis heat shock protein, putative 0.0178 0.037 1
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.0896 0.305 1
Trypanosoma brucei C-8 sterol isomerase, putative 0.2759 1 1
Brugia malayi Matrixin family protein 0.0172 0.0348 0.013
Plasmodium vivax endoplasmin, putative 0.0178 0.037 1
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Schistosoma mansoni heat shock protein 0.0138 0.0221 0.3429
Trypanosoma cruzi heat shock protein 85, putative 0.0178 0.037 0.0315
Trypanosoma cruzi C-8 sterol isomerase, putative 0.2759 1 1
Trypanosoma cruzi heat shock protein 85, putative 0.0178 0.037 0.0315
Entamoeba histolytica heat shock protein 90, putative 0.0178 0.037 1
Plasmodium vivax heat shock protein 90, putative 0.0138 0.0221 0.5351
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0172 0.0348 0.5402
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0625 0.2039 1
Schistosoma mansoni heat shock protein 0.0178 0.037 0.5753
Plasmodium falciparum heat shock protein 90, putative 0.013 0.0191 0.4436
Echinococcus granulosus heat shock protein 90 0.0178 0.037 0.0822
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Onchocerca volvulus Matrilysin homolog 0.0172 0.0348 0.1398
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Leishmania major heat shock protein 83-1 0.0178 0.037 0.0153
Trypanosoma brucei Heat shock protein 83, putative 0.0178 0.037 0.0153
Mycobacterium leprae PROBABLE HYDROLASE 0.0209 0.0487 1
Trypanosoma cruzi heat shock protein 85, putative 0.015 0.0266 0.021
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0209 0.0487 1
Trypanosoma brucei heat shock protein, putative 0.0178 0.037 0.0153
Mycobacterium ulcerans hydrolase 0.0209 0.0487 1
Trypanosoma cruzi heat shock protein, putative 0.0138 0.0221 0.0164
Trichomonas vaginalis heat shock protein, putative 0.0112 0.0123 0.2973
Trypanosoma cruzi Heat shock protein 83, putative 0.0178 0.037 0.0315
Echinococcus multilocularis heat shock protein 0.0178 0.037 0.0822
Plasmodium falciparum endoplasmin, putative 0.0112 0.0123 0.233
Schistosoma mansoni hypothetical protein 0.0244 0.0616 0.9568

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = -1.08 Mutagenic activity of the compound was tested in an Ames test on S. typhimurium TA98; Activity is log of revertants/nmol ChEMBL. 1995902
logP (ADMET) = 1.84 Partition coefficient (logP) ChEMBL. 1995902

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.