Detailed information for compound 2020387

Basic information

Technical information
  • TDR Targets ID: 2020387
  • Name: (2-naphthalen-2-yl-2-oxoethyl) 2-oxo-1H-quino line-4-carboxylate
  • MW: 357.359 | Formula: C22H15NO4
  • H donors: 1 H acceptors: 4 LogP: 4.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc2ccccc2c(c1)C(=O)OCC(=O)c1ccc2c(c1)cccc2
  • InChi: 1S/C22H15NO4/c24-20(16-10-9-14-5-1-2-6-15(14)11-16)13-27-22(26)18-12-21(25)23-19-8-4-3-7-17(18)19/h1-12H,13H2,(H,23,25)
  • InChiKey: JKMUMBFKJQAAIL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(2-naphthyl)-2-oxo-ethyl] 2-oxo-1H-quinoline-4-carboxylate
  • 2-oxo-1H-quinoline-4-carboxylic acid [2-(2-naphthyl)-2-oxoethyl] ester
  • 2-keto-1H-quinoline-4-carboxylic acid [2-keto-2-(2-naphthyl)ethyl] ester
  • (2-naphthalen-2-yl-2-oxo-ethyl) 2-oxo-1H-quinoline-4-carboxylate
  • 2-(2-naphthyl)-2-oxoethyl 2-hydroxy-4-quinolinecarboxylate
  • AP-263/43370995
  • T5968765

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 Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0156 0.0457
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.1188 1 1
Mycobacterium ulcerans hypothetical protein 0.0029 0.0156 0.0457
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.0412 0.3415 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1188 1 1
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0412 0.3415 1
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0412 0.3415 1
Echinococcus granulosus muscleblind protein 0.018 0.1445 0.1445
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0156 0.0457
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0062
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.1188 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1188 1 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0095 0.0277
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0156 0.0457
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.1188 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0156 0.5
Entamoeba histolytica hypothetical protein 0.0412 0.3415 0.3311
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0062
Entamoeba histolytica hypothetical protein 0.0775 0.6498 0.6442
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.1188 1 1
Entamoeba histolytica deoxycytidine triphosphate deaminase, putative 0.0412 0.3415 0.3311
Loa Loa (eye worm) hypothetical protein 0.018 0.1445 0.1363
Wolbachia endosymbiont of Brugia malayi deoxycytidine triphosphate deaminase 0.0412 0.3415 0.3415
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0085 0.0248
Echinococcus granulosus dUTP pyrophosphatase 0.1188 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0156 0.5
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.0412 0.3415 1
Entamoeba histolytica hypothetical protein 0.1188 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0085 0.0248
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0156 0.0457
Brugia malayi Muscleblind-like protein 0.018 0.1445 0.1309
Chlamydia trachomatis deoxycytidine triphosphate deaminase 0.0412 0.3415 0.3352
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0156 0.0457
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0156 0.0457
Loa Loa (eye worm) hypothetical protein 0.0029 0.0156 0.0062
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.1188 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, putative 0.0412 0.3415 0.3311
Echinococcus multilocularis muscleblind protein 1 0.018 0.1445 0.1445
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.1188 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1188 1 1
Wolbachia endosymbiont of Brugia malayi dUTPase 0.1188 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0085 0.0248
Echinococcus multilocularis dUTP pyrophosphatase 0.1188 1 1
Entamoeba histolytica hypothetical protein 0.1188 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0156 0.5
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0156 0.0457
Onchocerca volvulus 0.0029 0.0156 0.5
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.0085 0.0248
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.1188 1 1
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.1188 1 0.5
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0156 0.0457
Entamoeba histolytica hypothetical protein 0.0775 0.6498 0.6442
Loa Loa (eye worm) dUTP diphosphatase 0.1188 1 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0156 0.0457
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0156 0.0457
Echinococcus multilocularis muscleblind protein 0.018 0.1445 0.1445
Loa Loa (eye worm) hypothetical protein 0.018 0.1445 0.1363
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.1188 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.1188 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0095 0.0277
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0156 0.0457

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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