Detailed information for compound 1544577

Basic information

Technical information
  • TDR Targets ID: 1544577
  • Name: N-(2-methoxy-5-methylphenyl)-4-(1-methyl-2-ox oquinolin-4-yl)oxybutanamide
  • MW: 380.437 | Formula: C22H24N2O4
  • H donors: 1 H acceptors: 2 LogP: 2.71 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1NC(=O)CCCOc1cc(=O)n(c2c1cccc2)C)C
  • InChi: 1S/C22H24N2O4/c1-15-10-11-19(27-3)17(13-15)23-21(25)9-6-12-28-20-14-22(26)24(2)18-8-5-4-7-16(18)20/h4-5,7-8,10-11,13-14H,6,9,12H2,1-3H3,(H,23,25)
  • InChiKey: BQNFOJPRQCWDKL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-methoxy-5-methyl-phenyl)-4-[(1-methyl-2-oxo-4-quinolyl)oxy]butanamide
  • N-(2-methoxy-5-methylphenyl)-4-[(1-methyl-2-oxo-4-quinolyl)oxy]butanamide
  • 4-[(2-keto-1-methyl-4-quinolyl)oxy]-N-(2-methoxy-5-methyl-phenyl)butyramide
  • N-(2-methoxy-5-methyl-phenyl)-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
Loa Loa (eye worm) hypothetical protein 0.0137 0.5836 0.6701
Loa Loa (eye worm) hypothetical protein 0.0024 0.0491 0.0564
Echinococcus multilocularis protein arginine N methyltransferase 8 0.0015 0.0089 0.0295
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0015 0.0089 0.0295
Echinococcus granulosus protein arginine methyltransferase 0.0015 0.0089 0.0295
Brugia malayi jmjC domain containing protein 0.0043 0.1423 0.1633
Giardia lamblia PHD finger protein 15 0.0013 0 0.5
Echinococcus granulosus S adenosylmethionine decarboxylase proenzyme 0.0038 0.1156 0.3841
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0018 0.0242 1
Trypanosoma brucei S-adenosylmethionine decarboxylase proenzyme, putative 0.0038 0.1156 1
Echinococcus multilocularis geminin 0.0077 0.3009 1
Echinococcus multilocularis jumonji domain containing protein 0.0018 0.0245 0.0814
Echinococcus granulosus protein arginine N methyltransferase 8 0.0015 0.0089 0.0295
Onchocerca volvulus 0.0028 0.0714 0.0714
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0038 0.1156 1
Brugia malayi S-adenosylmethionine decarboxylase proenzyme 0.0038 0.1156 0.1327
Entamoeba histolytica arginine N-methyltransferase protein, putative 0.0024 0.0491 0.5
Echinococcus granulosus lysine specific demethylase 5A 0.0016 0.0132 0.0437
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0027 0.0665 0.2208
Loa Loa (eye worm) jmjC domain-containing protein 0.0027 0.0666 0.0764
Trichomonas vaginalis set domain proteins, putative 0.0225 1 1
Echinococcus multilocularis protein arginine methyltransferase 0.0015 0.0089 0.0295
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0028 0.0714 0.2372
Toxoplasma gondii histone arginine methyltransferase PRMT1 0.0015 0.0089 0.1244
Entamoeba histolytica hypothetical protein 0.0024 0.0491 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0714 0.2372
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0043 0.1423 0.4728
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0714 0.2372
Plasmodium vivax SET domain protein, putative 0.0028 0.0714 1
Plasmodium vivax protein arginine N-methyltransferase 1, putative 0.0015 0.0089 0.1244
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0043 0.1423 0.4728
Brugia malayi NNMT/PNMT/TEMT family protein 0.0137 0.5836 0.6701
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0015 0.0089 0.0295
Brugia malayi Pre-SET motif family protein 0.0197 0.871 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0016 0.0132 0.0437
Echinococcus granulosus geminin 0.0077 0.3009 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0028 0.0714 0.2372
Trypanosoma cruzi S-adenosylmethionine decarboxylase proenzyme, putative 0.0038 0.1156 1
Schistosoma mansoni hypothetical protein 0.0077 0.3009 1
Echinococcus multilocularis S adenosylmethionine decarboxylase proenzyme 0.0038 0.1156 0.3841
Schistosoma mansoni jumonji/arid domain-containing protein 0.0016 0.0132 0.0437
Brugia malayi Pre-SET motif family protein 0.0028 0.0714 0.0819
Schistosoma mansoni protein arginine N-methyltransferase 1 0.0015 0.0089 0.0295
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0028 0.0714 0.2372
Loa Loa (eye worm) hypothetical protein 0.0137 0.5836 0.6701
Loa Loa (eye worm) hypothetical protein 0.0023 0.0447 0.0513
Brugia malayi hypothetical protein 0.0024 0.0491 0.0564
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0028 0.0714 0.2372
Leishmania major S-adenosylmethionine decarboxylase 0.0038 0.1156 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0197 0.871 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0028 0.0714 0.2372
Plasmodium falciparum protein arginine N-methyltransferase 1 0.0015 0.0089 0.3667
Echinococcus granulosus jumonji domain containing protein 0.0018 0.0245 0.0814
Schistosoma mansoni hypothetical protein 0.0026 0.0585 0.1946
Loa Loa (eye worm) S-adenosylmethionine decarboxylase proenzyme 0.0038 0.1156 0.1327
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0038 0.1156 1
Schistosoma mansoni hypothetical protein 0.0077 0.3009 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0714 0.0819
Brugia malayi jmjC domain containing protein 0.0016 0.0132 0.0151
Loa Loa (eye worm) NNMT/PNMT/TEMT family protein 0.0137 0.5836 0.6701
Schistosoma mansoni jumonji domain containing protein 0.0034 0.1002 0.3329
Trypanosoma brucei S-adenosylmethionine decarboxylase 0.0038 0.1156 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0016 0.0132 0.0437
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0018 0.0242 0.3392
Loa Loa (eye worm) jmjC domain-containing protein 0.0016 0.0132 0.0151
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0028 0.0714 1

Activities

Activity type Activity value Assay description Source Reference
EC50 > 49.75 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify inhibitors of Wee1 degradation. (Class of assay: screening) [Related pubchem assays (depositor defined):AID1321, AID1410, AID1412, AID1413, AID1414, AID1807, AID434972] Panel member name: Wee1 Degradation ChEMBL. No reference
EC50 > 49.75 um PUBCHEM_BIOASSAY: Late stage results from the probe development effort to identify inhibitors of Wee1 degradation. (Class of assay: screening) [Related pubchem assays (depositor defined):AID1321, AID1410, AID1412, AID1413, AID1414, AID1807, AID434972] Panel member name: Cyclin B Degradation ChEMBL. No reference

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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