Detailed information for compound 891522

Basic information

Technical information
  • TDR Targets ID: 891522
  • Name: [2-(4-fluorophenyl)-2-oxoethyl] 2-methylquino line-4-carboxylate
  • MW: 323.318 | Formula: C19H14FNO3
  • H donors: 0 H acceptors: 3 LogP: 3.95 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)C(=O)COC(=O)c1cc(C)nc2c1cccc2
  • InChi: 1S/C19H14FNO3/c1-12-10-16(15-4-2-3-5-17(15)21-12)19(23)24-11-18(22)13-6-8-14(20)9-7-13/h2-10H,11H2,1H3
  • InChiKey: BJXGJEHOJWXMNR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(4-fluorophenyl)-2-oxo-ethyl] 2-methylquinoline-4-carboxylate
  • 2-methyl-4-quinolinecarboxylic acid [2-(4-fluorophenyl)-2-oxoethyl] ester
  • 2-methylcinchoninic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester
  • 2-Methyl-quinoline-4-carboxylic acid 2-(4-fluoro-phenyl)-2-oxo-ethyl ester
  • BAS 05595632
  • ZINC00795240
  • T5275845

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
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0057 0.0657 0.5
Echinococcus multilocularis transcription factor collier 0.0071 0.0984 0.0846
Schistosoma mansoni semaphorin 5-related 0.0163 0.31 0.3713
Schistosoma mansoni hypothetical protein 0.0226 0.4582 0.5488
Leishmania major p450 reductase, putative 0.0057 0.0657 1
Schistosoma mansoni plexin 0.0389 0.8349 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.31 0.2995
Loa Loa (eye worm) plexin A 0.046 1 1
Giardia lamblia Nitric oxide synthase, inducible 0.0051 0.0506 0.5
Schistosoma mansoni hypothetical protein 0.0071 0.0984 0.1178
Echinococcus granulosus plexin a4 0.046 1 1
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0057 0.0657 0.5
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0057 0.0657 1
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0984 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0057 0.0657 0.0514
Loa Loa (eye worm) FAD binding domain-containing protein 0.0057 0.0657 0.0514
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0057 0.0657 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.0984 0.0846
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0984 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.31 0.2995
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0057 0.0657 0.0514
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0984 1
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0057 0.0657 0.5
Echinococcus granulosus semaphorin 1A 0.0163 0.31 0.2995
Brugia malayi Plexin repeat family protein 0.0389 0.8349 0.8324
Loa Loa (eye worm) hypothetical protein 0.0163 0.31 0.2995
Loa Loa (eye worm) hypothetical protein 0.0389 0.8349 0.8324
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0984 1
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0071 0.0984 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.4582 0.4499
Schistosoma mansoni cytochrome P450 reductase 0.0057 0.0657 0.0787
Plasmodium falciparum nitric oxide synthase, putative 0.0057 0.0657 0.5
Echinococcus multilocularis hypothetical protein 0.0163 0.31 0.2995
Echinococcus granulosus transcription factor collier 0.0071 0.0984 0.0846
Entamoeba histolytica tyrosin kinase, putative 0.009 0.1425 1
Brugia malayi hypothetical protein 0.0163 0.31 0.2995
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0984 1
Loa Loa (eye worm) hypothetical protein 0.0163 0.31 0.2995
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0057 0.0657 0.0514
Loa Loa (eye worm) hypothetical protein 0.0071 0.0984 0.0846
Loa Loa (eye worm) hypothetical protein 0.0057 0.0657 0.0514
Echinococcus multilocularis exocyst complex component 2 0.0071 0.0984 0.0846
Loa Loa (eye worm) hypothetical protein 0.0071 0.0984 0.0846
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0071 0.0984 1
Schistosoma mansoni plexin 0.0226 0.4582 0.5488
Brugia malayi hypothetical protein 0.0163 0.31 0.2995
Schistosoma mansoni fibrocystin l 0.0071 0.0984 0.1178
Loa Loa (eye worm) hypothetical protein 0.0163 0.31 0.2995
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0984 1
Chlamydia trachomatis sulfite reductase 0.0035 0.015 0.5
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0057 0.0657 0.5
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0057 0.0657 0.5
Brugia malayi DNA-binding protein LAG-1 0.0071 0.0984 0.0846
Loa Loa (eye worm) hypothetical protein 0.0163 0.31 0.2995
Loa Loa (eye worm) sema domain-containing protein 0.0163 0.31 0.2995
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0057 0.0657 0.5
Brugia malayi Sema domain containing protein 0.0163 0.31 0.2995
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0071 0.0984 1
Entamoeba histolytica protein kinase domain containing protein 0.009 0.1425 1
Brugia malayi FAD binding domain containing protein 0.0057 0.0657 0.0514
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0035 0.015 0.018
Echinococcus granulosus semaphorin 5B 0.0163 0.31 0.2995
Echinococcus multilocularis semaphorin 5B 0.0163 0.31 0.2995
Brugia malayi Sema domain containing protein 0.0163 0.31 0.2995
Loa Loa (eye worm) sema domain-containing protein 0.0163 0.31 0.2995
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0057 0.0657 0.0514
Schistosoma mansoni hypothetical protein 0.0071 0.0984 0.1178
Giardia lamblia Hypothetical protein 0.0051 0.0506 0.5
Echinococcus multilocularis plexin a4 0.046 1 1
Brugia malayi flavodoxin family protein 0.0057 0.0657 0.0514
Trichomonas vaginalis sulfite reductase, putative 0.0057 0.0657 0.3152
Schistosoma mansoni hypothetical protein 0.0163 0.31 0.3713
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0984 1
Trypanosoma cruzi p450 reductase, putative 0.0057 0.0657 0.5
Echinococcus granulosus exocyst complex component 2 0.0071 0.0984 0.0846
Brugia malayi IPT/TIG domain containing protein 0.0071 0.0984 0.0846
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0071 0.0984 1
Brugia malayi Probable exocyst complex component Sec5 0.0071 0.0984 0.0846
Onchocerca volvulus 0.0389 0.8349 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0057 0.0657 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0984 0.0846
Schistosoma mansoni hypothetical protein 0.0163 0.31 0.3713
Trichomonas vaginalis Clan MA, family M8, leishmanolysin-like metallopeptidase 0.0071 0.0984 1
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0057 0.0657 0.5

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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