Detailed information for compound 664817

Basic information

Technical information
  • TDR Targets ID: 664817
  • Name: N-(3-chloro-4-methoxyphenyl)-4-[2-oxo-2-[(2-p ropan-2-ylphenyl)amino]ethoxy]benzamide
  • MW: 452.93 | Formula: C25H25ClN2O4
  • H donors: 2 H acceptors: 2 LogP: 5.36 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1Cl)NC(=O)c1ccc(cc1)OCC(=O)Nc1ccccc1C(C)C
  • InChi: 1S/C25H25ClN2O4/c1-16(2)20-6-4-5-7-22(20)28-24(29)15-32-19-11-8-17(9-12-19)25(30)27-18-10-13-23(31-3)21(26)14-18/h4-14,16H,15H2,1-3H3,(H,27,30)(H,28,29)
  • InChiKey: HNNFNVLMKFQYGQ-UHFFFAOYSA-N  

Network

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Synonyms

  • N-(3-chloro-4-methoxy-phenyl)-4-[2-[(2-isopropylphenyl)amino]-2-oxo-ethoxy]benzamide
  • N-(3-chloro-4-methoxyphenyl)-4-[2-[(2-isopropylphenyl)amino]-2-oxoethoxy]benzamide
  • N-(3-chloro-4-methoxy-phenyl)-4-[2-[(2-isopropylphenyl)amino]-2-keto-ethoxy]benzamide
  • N-(3-chloro-4-methoxy-phenyl)-4-[2-oxo-2-[(2-propan-2-ylphenyl)amino]ethoxy]benzamide
  • ZINC00958152
  • ST5196781
  • Oprea1_183494

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
Brugia malayi hypothetical protein 0.0035 0.0009 0.0044
Loa Loa (eye worm) hypothetical protein 0.0119 0.0406 0.2055
Loa Loa (eye worm) hypothetical protein 0.0451 0.1973 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0045
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0045
Brugia malayi phenylalanyl (f) trna synthetase protein 1 0.0451 0.1973 1
Onchocerca volvulus Huntingtin homolog 0.0119 0.0406 1
Echinococcus multilocularis microtubule associated protein 2 0.067 0.3008 1
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.013 0.046 0.2299
Echinococcus granulosus microtubule associated protein 2 0.067 0.3008 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0009 0.0045
Treponema pallidum phenylalanyl-tRNA synthetase subunit alpha 0.0451 0.1973 0.5
Schistosoma mansoni phenylalanyl-tRNA synthetase mitochondrial 0.013 0.046 0.1531
Schistosoma mansoni hypothetical protein 0.0035 0.0009 0.0029
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0223 0.0899 0.089
Loa Loa (eye worm) beta-lactamase 0.0035 0.0009 0.0045
Mycobacterium ulcerans phenylalanyl-tRNA synthetase subunit alpha 0.2149 1 1
Schistosoma mansoni hypothetical protein 0.0164 0.0621 0.2064
Schistosoma mansoni hypothetical protein 0.0164 0.0621 0.2064
Brugia malayi hypothetical protein 0.0119 0.0406 0.2055
Trypanosoma brucei phenylalanyl-tRNA synthetase alpha chain, putative 0.0451 0.1973 1
Schistosoma mansoni microtubule-associated protein tau 0.067 0.3008 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0072 0.0367
Plasmodium falciparum phenylalanine--tRNA ligase alpha subunit 0.0451 0.1973 1
Echinococcus multilocularis phenylalanyl tRNA synthetase alpha chain B 0.0451 0.1973 0.655
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0072 0.0367
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0009 0.0029
Toxoplasma gondii Ferredoxin-fold anticodon binding domain-containing protein 0.013 0.046 0.2299
Brugia malayi phenylalanyl-tRNA synthetase, mitochondrial precursor, putative 0.013 0.046 0.2333
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.013 0.046 0.2299
Echinococcus granulosus phenylalanyl tRNA synthetase 0.013 0.046 0.1506
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0009 0.0045
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0009 0.0029
Echinococcus granulosus phenylalanyl tRNA synthetase alpha chain B 0.0451 0.1973 0.655
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0045
Brugia malayi beta-lactamase family protein 0.0035 0.0009 0.0045
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0009 0.0029
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.0451 0.1973 0.656
Schistosoma mansoni phenylalanyl-tRNA synthetase subunit alpha 0.013 0.046 0.1531
Loa Loa (eye worm) hypothetical protein 0.0119 0.0406 0.2055
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0045
Entamoeba histolytica phenylalanyl-tRNA synthetase alpha subunit, putative 0.0451 0.1973 1
Mycobacterium leprae Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.032 0.1357 1
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.0451 0.1973 1
Echinococcus multilocularis phenylalanyl tRNA synthetase 0.013 0.046 0.1506
Loa Loa (eye worm) phenylalanyl-tRNA synthetase 0.013 0.046 0.2333
Mycobacterium tuberculosis Probable phenylalanyl-tRNA synthetase, alpha chain PheS 0.2149 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0072 0.0367
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0045
Plasmodium vivax phenylalanine--tRNA ligase, putative 0.013 0.046 0.2299
Loa Loa (eye worm) hypothetical protein 0.0048 0.0072 0.0367
Onchocerca volvulus Huntingtin homolog 0.0119 0.0406 1
Wolbachia endosymbiont of Brugia malayi phenylalanyl-tRNA synthetase subunit alpha 0.2149 1 0.5
Brugia malayi beta-lactamase family protein 0.0035 0.0009 0.0045
Giardia lamblia Phenylalanyl-tRNA synthetase alpha chain 0.0451 0.1973 0.5
Trypanosoma cruzi phenylalanyl-tRNA synthetase alpha chain, putative 0.0451 0.1973 1
Plasmodium vivax phenylalanine--tRNA ligase alpha subunit, putative 0.0451 0.1973 1
Trichomonas vaginalis phenylalanyl-tRNA synthetase alpha chain, putative 0.013 0.046 0.2299
Brugia malayi beta-lactamase 0.0035 0.0009 0.0045
Leishmania major phenylalanyl-tRNA synthetase alpha chain, putative 0.0451 0.1973 1
Echinococcus multilocularis geminin 0.0164 0.0621 0.2041
Echinococcus granulosus geminin 0.0164 0.0621 0.2041
Toxoplasma gondii phenylalanyl-tRNA synthetase alpha chain A, putative 0.0451 0.1973 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0009 0.0045

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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