Detailed information for compound 410586

Basic information

Technical information
  • TDR Targets ID: 410586
  • Name: 3-hydroxy-7,8-dimethyl-2-[3-(trifluoromethoxy )phenyl]quinoline-4-carboxylic acid
  • MW: 377.314 | Formula: C19H14F3NO4
  • H donors: 2 H acceptors: 4 LogP: 5.48 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1c(O)c(nc2c1ccc(c2C)C)c1cccc(c1)OC(F)(F)F
  • InChi: 1S/C19H14F3NO4/c1-9-6-7-13-14(18(25)26)17(24)16(23-15(13)10(9)2)11-4-3-5-12(8-11)27-19(20,21)22/h3-8,24H,1-2H3,(H,25,26)
  • InChiKey: XIAKWAGZUGXLJL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-hydroxy-7,8-dimethyl-2-[3-(trifluoromethoxy)phenyl]-4-quinolinecarboxylic acid
  • 3-hydroxy-7,8-dimethyl-2-[3-(trifluoromethoxy)phenyl]cinchoninic acid

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
Mycobacterium tuberculosis Conserved hypothetical protein 0.0485 0.4493 0.5
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.084 0.8983 0.8983
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.092 1 1
Trypanosoma brucei mitochondrial DNA polymerase beta 0.092 1 1
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.084 0.8983 0.8341
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0436 0.3871 0.3871
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.084 0.8983 1
Toxoplasma gondii hypothetical protein 0.0148 0.0241 1
Mycobacterium ulcerans hypothetical protein 0.0485 0.4493 0.5
Plasmodium vivax DNA polymerase alpha, putative 0.0135 0.0072 0.5
Trichomonas vaginalis conserved hypothetical protein 0.084 0.8983 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.084 0.8983 0.8983
Entamoeba histolytica DNA repair and recombination protein, putative 0.084 0.8983 0.5
Entamoeba histolytica hypothetical protein, conserved 0.084 0.8983 0.5
Giardia lamblia Rrm3p helicase 0.084 0.8983 1
Schistosoma mansoni hypothetical protein 0.084 0.8983 1
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.084 0.8983 0.8983
Onchocerca volvulus DNA polymerase alpha catalytic subunit homolog 0.0229 0.1259 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.092 1 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0158 0.0358 0.0358
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.084 0.8983 0.8341
Loa Loa (eye worm) hypothetical protein 0.0229 0.1259 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0436 0.3871 0.3871
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.084 0.8983 0.8983
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.084 0.8983 0.8983
Brugia malayi DNA polymerase alpha catalytic subunit 0.0135 0.0072 0.5
Echinococcus granulosus ATP dependent DNA helicase PIF1 0.084 0.8983 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 5 uM Inhibition of neutrophil adhesion to IL4-stimulated HUVEC by leukocyte rolling assay ChEMBL. 17201408
IC50 (functional) = 5 uM Inhibition of neutrophil adhesion to IL4-stimulated HUVEC by leukocyte rolling assay ChEMBL. 17201408
IC50 (binding) = 200 uM Inhibition of human recombinant P-selectin expressed in CHO cells by Biacore assay ChEMBL. 17201408
IC50 (binding) = 200 uM Inhibition of human recombinant P-selectin expressed in CHO cells by Biacore assay ChEMBL. 17201408

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 17201408

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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