Detailed information for compound 802217

Basic information

Technical information
  • TDR Targets ID: 802217
  • Name: N-[(4-ethylphenyl)methyl]-4-(1-methyl-2-oxoqu inolin-4-yl)oxybutanamide
  • MW: 378.464 | Formula: C23H26N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.1 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(cc1)CNC(=O)CCCOc1cc(=O)n(c2c1cccc2)C
  • InChi: 1S/C23H26N2O3/c1-3-17-10-12-18(13-11-17)16-24-22(26)9-6-14-28-21-15-23(27)25(2)20-8-5-4-7-19(20)21/h4-5,7-8,10-13,15H,3,6,9,14,16H2,1-2H3,(H,24,26)
  • InChiKey: AIOGRCIENKGFEH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(4-ethylphenyl)methyl]-4-[(1-methyl-2-oxo-4-quinolyl)oxy]butanamide
  • N-(4-ethylbenzyl)-4-[(2-keto-1-methyl-4-quinolyl)oxy]butyramide
  • N-[(4-ethylphenyl)methyl]-4-(1-methyl-2-oxo-quinolin-4-yl)oxy-butanamide

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
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.0735 0.3995
Trypanosoma cruzi Emopamil binding protein, putative 0.0296 0.3423 0.3423
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0754 1
Echinococcus granulosus lysosomal alpha glucosidase 0.017 0.1749 0.951
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0132 0.0132
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.1749 0.951
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0735 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0735 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0132 0.0719
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.0735 0.0735
Leishmania major 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0296 0.3423 0.3423
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.0735 0.0735
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0038 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0132 0.0719
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0132 0.0719
Echinococcus multilocularis geminin 0.0176 0.1839 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0735 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0132 0.0719
Onchocerca volvulus 0.0296 0.3423 1
Onchocerca volvulus 0.0098 0.0801 0.0248
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0754 1
Schistosoma mansoni hypothetical protein 0.0176 0.1839 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0132 0.0719
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0296 0.3423 0.3423
Echinococcus granulosus geminin 0.0176 0.1839 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0132 0.0719
Leishmania major hypothetical protein, conserved 0.0296 0.3423 0.3423
Schistosoma mansoni hypothetical protein 0.0176 0.1839 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0038 0.0002 0.001
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0735 1
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0754 1
Schistosoma mansoni kinase 0.0047 0.0128 0.0696
Loa Loa (eye worm) hypothetical protein 0.0792 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0132 0.0132
Trypanosoma cruzi 3-Beta-hydroxysteroid-delta(8), delta(7)-isomerase, putative 0.0296 0.3423 0.3423
Trypanosoma cruzi Emopamil binding protein, putative 0.0296 0.3423 0.3423
Echinococcus multilocularis thioredoxin glutathione reductase 0.0038 0.0002 0.001
Leishmania major C-8 sterol isomerase-like protein 0.0792 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0112 0.1522
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0112 0.1522
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.0735 0.3995
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0792 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0735 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0735 0.0735
Schistosoma mansoni alpha-glucosidase 0.0146 0.1436 0.7808
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0132 0.0719
Trypanosoma brucei polo-like protein kinase 0.0093 0.0735 0.0735
Trypanosoma brucei C-8 sterol isomerase, putative 0.0792 1 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.0735 0.3995
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.017 0.1749 0.1749
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0754 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0735 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.017 0.1749 0.1749
Loa Loa (eye worm) hypothetical protein 0.0405 0.4867 0.4867
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.0735 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.0735 0.0735
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0735 1
Schistosoma mansoni alpha-glucosidase 0.0146 0.1436 0.7808
Trypanosoma brucei Emopamil binding protein, putative 0.0296 0.3423 0.3423
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0735 0.0735
Echinococcus multilocularis lysosomal alpha glucosidase 0.017 0.1749 0.951
Giardia lamblia Kinase, PLK 0.0093 0.0735 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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