Detailed information for compound 782684

Basic information

Technical information
  • TDR Targets ID: 782684
  • Name: 4-(3-ethoxyphenyl)-7-(4-fluorophenyl)-1,3,4,6 ,7,8-hexahydroquinoline-2,5-dione
  • MW: 379.424 | Formula: C23H22FNO3
  • H donors: 1 H acceptors: 2 LogP: 3.05 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cccc(c1)C1CC(=O)NC2=C1C(=O)CC(C2)c1ccc(cc1)F
  • InChi: 1S/C23H22FNO3/c1-2-28-18-5-3-4-15(10-18)19-13-22(27)25-20-11-16(12-21(26)23(19)20)14-6-8-17(24)9-7-14/h3-10,16,19H,2,11-13H2,1H3,(H,25,27)
  • InChiKey: IOHJMDAHANSTHT-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 4-(3-ethoxyphenyl)-7-(4-fluorophenyl)-1,3,4,6,7,8-hexahydroquinoline-2,5-quinone
  • IVK/2009658

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 ulcerans amidase 0.0037 0.0458 0.5
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0043 0.0566 0.0566
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0547 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0093 0.1506 0.1506
Loa Loa (eye worm) hypothetical protein 0.0093 0.1506 0.1506
Loa Loa (eye worm) hypothetical protein 0.0093 0.1506 0.1506
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0093 0.1506 0.1506
Loa Loa (eye worm) hypothetical protein 0.0547 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0093 0.1506 0.1506
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0093 0.1506 0.1506
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0093 0.1506 0.1506
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0037 0.0458 0.5
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0037 0.0458 0.5
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0037 0.0458 0.0458
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0093 0.1506 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0093 0.1506 0.1506
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0334 0.0334
Brugia malayi Amidase family protein 0.0037 0.0458 0.0458
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0093 0.1506 0.1506
Echinococcus granulosus fatty acid amide hydrolase 1 0.0305 0.5483 0.5483
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0093 0.1506 0.1506
Loa Loa (eye worm) hypothetical protein 0.0547 1 1
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0093 0.1506 0.1506
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0093 0.1506 0.1506
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0093 0.1506 0.1506
Loa Loa (eye worm) hypothetical protein 0.0093 0.1506 0.1506
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0093 0.1506 0.1506
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0093 0.1506 0.5
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0037 0.0458 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0514 0.5
Mycobacterium ulcerans amidase 0.0037 0.0458 0.5
Loa Loa (eye worm) amidase 0.0037 0.0458 0.0458
Loa Loa (eye worm) norepinephrine transporter 0.0547 1 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0037 0.0458 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.1506 0.1506
Trypanosoma cruzi amidase, putative 0.0037 0.0458 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0093 0.1506 0.1506
Loa Loa (eye worm) hypothetical protein 0.0093 0.1506 0.1506
Mycobacterium ulcerans amidase 0.0037 0.0458 0.5
Loa Loa (eye worm) hypothetical protein 0.0093 0.1506 0.1506
Plasmodium vivax hypothetical protein, conserved 0.0093 0.1506 1
Brugia malayi Cytochrome P450 family protein 0.003 0.0334 0.0334
Loa Loa (eye worm) hypothetical protein 0.0037 0.0461 0.0461
Mycobacterium ulcerans peptide amidase, GatA 0.0037 0.0458 0.5
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0093 0.1506 0.1506
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0093 0.1506 0.5
Loa Loa (eye worm) amidase 0.0037 0.0458 0.0458
Echinococcus granulosus sodium and chloride dependent glycine 0.0093 0.1506 0.1506
Schistosoma mansoni fatty-acid amide hydrolase 0.0305 0.5483 0.5483
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0037 0.0458 0.5
Brugia malayi putative amidase 0.0037 0.0458 0.0458
Schistosoma mansoni amidase 0.0305 0.5483 0.5483
Schistosoma mansoni sodium/chloride dependent transporter 0.0093 0.1506 0.1506
Schistosoma mansoni sodium/chloride dependent transporter 0.0547 1 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.004 0.0514 0.5
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0093 0.1506 0.1506
Schistosoma mansoni fatty-acid amide hydrolase 0.0037 0.0458 0.0458
Onchocerca volvulus 0.0547 1 1
Toxoplasma gondii hypothetical protein 0.0093 0.1506 0.5
Loa Loa (eye worm) hypothetical protein 0.0547 1 1
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0037 0.0458 0.5
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0093 0.1506 0.1506
Plasmodium vivax amine transporter, putative 0.0093 0.1506 1
Mycobacterium ulcerans amidase 0.0037 0.0458 0.5
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0037 0.0458 0.5
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0093 0.1506 0.1506
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0093 0.1506 0.5
Plasmodium falciparum amino acid transporter, putative 0.0093 0.1506 1
Brugia malayi Amidase family protein 0.0037 0.0458 0.0458
Toxoplasma gondii hypothetical protein 0.0093 0.1506 0.5
Loa Loa (eye worm) hypothetical protein 0.0305 0.5483 0.5483
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0037 0.0458 0.5
Echinococcus multilocularis serotonin transporter 0.0547 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0639 0.0639
Brugia malayi hypothetical protein 0.0093 0.1506 0.1506
Echinococcus granulosus fatty acid amide hydrolase 1 0.0037 0.0458 0.0458
Schistosoma mansoni voltage-gated potassium channel 0.0047 0.0639 0.0639
Echinococcus multilocularis sodium and chloride dependent glycine 0.0093 0.1506 0.1506
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0043 0.0566 0.0566
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0043 0.0566 0.0566
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0093 0.1506 0.1506
Schistosoma mansoni sodium/chloride dependent transporter 0.0093 0.1506 0.1506
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0093 0.1506 0.1506
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0037 0.0458 0.0458
Leishmania major hypothetical protein, conserved 0.0037 0.0458 0.5
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0037 0.0458 0.5
Plasmodium falciparum transporter, putative 0.0093 0.1506 1
Treponema pallidum sodium- and chloride- dependent transporter 0.0547 1 1
Echinococcus granulosus serotonin transporter 0.0547 1 1
Schistosoma mansoni sodium-dependent amino acid transporter 0.0093 0.1506 0.1506
Mycobacterium ulcerans amidase 0.0037 0.0458 0.5
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0093 0.1506 0.1506
Echinococcus multilocularis sodium and chloride dependent glycine 0.0093 0.1506 0.1506
Loa Loa (eye worm) hypothetical protein 0.0093 0.1506 0.1506
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0093 0.1506 0.1506
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0305 0.5483 0.5483
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0037 0.0458 0.0458
Echinococcus granulosus sodium and chloride dependent glycine 0.0093 0.1506 0.1506
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0305 0.5483 0.5483
Trypanosoma cruzi amidase, putative 0.0037 0.0458 0.5
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0037 0.0458 0.5
Loa Loa (eye worm) solute carrier family 6 member 4 0.0547 1 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0043 0.0566 0.0566
Loa Loa (eye worm) serotonin transporter b 0.0547 1 1
Brugia malayi amidase 0.0305 0.5483 0.5483
Echinococcus granulosus fatty acid amide hydrolase 1 0.0305 0.5483 0.5483
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0037 0.0458 0.0458

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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