Detailed information for compound 502213

Basic information

Technical information
  • TDR Targets ID: 502213
  • Name: 4-(2-aminoethoxy)-3,5-dimethyl-N-(3-propan-2- yloxyphenyl)benzamide
  • MW: 342.432 | Formula: C20H26N2O3
  • H donors: 2 H acceptors: 1 LogP: 3.29 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCOc1c(C)cc(cc1C)C(=O)Nc1cccc(c1)OC(C)C
  • InChi: 1S/C20H26N2O3/c1-13(2)25-18-7-5-6-17(12-18)22-20(23)16-10-14(3)19(15(4)11-16)24-9-8-21/h5-7,10-13H,8-9,21H2,1-4H3,(H,22,23)
  • InChiKey: AVOBXCPRIVNWMJ-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-(2-aminoethoxy)-N-(3-isopropoxyphenyl)-3,5-dimethyl-benzamide
  • 4-(2-aminoethoxy)-N-(3-isopropoxyphenyl)-3,5-dimethylbenzamide
  • 4-(2-azanylethoxy)-3,5-dimethyl-N-(3-propan-2-yloxyphenyl)benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens plasminogen activator, urokinase Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus Mastin plasminogen activator, urokinase 414 aa 340 aa 24.4 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0016 0.2884 0.2884
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.2884 0.2884
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.2884 0.2884
Loa Loa (eye worm) hypothetical protein 0.0016 0.2884 0.2884
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0016 0.2884 0.2884
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0016 0.2884 0.2884
Toxoplasma gondii kringle domain-containing protein 0.0035 1 0.5
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.2884 0.2884
Echinococcus multilocularis tissue type plasminogen activator 0.0035 1 1
Schistosoma mansoni RAR-like nuclear receptor 0.0016 0.2884 0.2884
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0016 0.2884 0.2884
Loa Loa (eye worm) hypothetical protein 0.0016 0.2884 0.2884
Brugia malayi Steroid receptor seven-up type 2 0.0016 0.2884 0.2884
Loa Loa (eye worm) hypothetical protein 0.0016 0.2884 0.2884
Schistosoma mansoni coup transcription factor 0.0016 0.2884 0.2884
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0016 0.2884 0.2884
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0016 0.2884 0.2884
Trypanosoma cruzi hypothetical protein, conserved 0.0035 1 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0016 0.2884 0.2884
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0016 0.2884 0.2884
Echinococcus multilocularis FTZ F1 alpha 0.0016 0.2884 0.2884
Echinococcus granulosus tissue type plasminogen activator 0.0035 1 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0016 0.2884 0.2884
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0016 0.2884 0.2884
Loa Loa (eye worm) hypothetical protein 0.0016 0.2884 0.2884
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.2884 0.2884
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0016 0.2884 0.2884
Echinococcus granulosus FTZ F1 alpha 0.0016 0.2884 0.2884
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0016 0.2884 0.2884
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.2884 0.2884
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0016 0.2884 0.2884
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0016 0.2884 0.2884
Loa Loa (eye worm) hypothetical protein 0.0035 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.2884 0.2884
Brugia malayi nuclear receptor NHR-88 0.0016 0.2884 0.2884
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0016 0.2884 0.2884
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0016 0.2884 0.2884
Loa Loa (eye worm) hypothetical protein 0.0016 0.2884 0.2884
Onchocerca volvulus 0.0035 1 1
Schistosoma mansoni nuclear hormone receptor 0.0016 0.2884 0.2884
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0016 0.2884 0.2884
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0016 0.2884 0.2884
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0016 0.2884 0.2884
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0016 0.2884 0.2884
Brugia malayi ecdysteroid receptor 0.0016 0.2884 0.2884
Plasmodium falciparum cysteine repeat modular protein 1 0.0035 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0016 0.2884 0.2884
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0016 0.2884 0.2884
Echinococcus multilocularis ecdysone induced protein 78C 0.0016 0.2884 0.2884
Loa Loa (eye worm) hypothetical protein 0.0016 0.2884 0.2884
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0016 0.2884 0.2884
Brugia malayi Kringle domain containing protein 0.0035 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.2884 0.2884
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0016 0.2884 0.2884
Echinococcus granulosus ecdysone induced protein 78C 0.0016 0.2884 0.2884
Schistosoma mansoni retinoic acid receptor RXR 0.0016 0.2884 0.2884
Schistosoma mansoni hypothetical protein 0.0035 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0016 0.2884 0.2884
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.2884 0.2884
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0016 0.2884 0.2884
Loa Loa (eye worm) TK/ROR protein kinase 0.0035 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0016 0.2884 0.2884
Loa Loa (eye worm) steroid hormone receptor 0.0016 0.2884 0.2884
Brugia malayi steroid hormone receptor 0.0016 0.2884 0.2884
Brugia malayi photoreceptor-specific nuclear receptor 0.0016 0.2884 0.2884
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0016 0.2884 0.2884
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0016 0.2884 0.2884
Schistosoma mansoni thyroid hormone receptor 0.0016 0.2884 0.2884
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0016 0.2884 0.2884
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0035 1 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0016 0.2884 0.2884
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0016 0.2884 0.2884
Leishmania major hypothetical protein, conserved 0.0035 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.2884 0.2884
Brugia malayi nuclear hormone receptor 0.0016 0.2884 0.2884
Schistosoma mansoni thyroid hormone receptor 0.0016 0.2884 0.2884
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0016 0.2884 0.2884
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0016 0.2884 0.2884
Echinococcus multilocularis thyroid hormone receptor alpha 0.0016 0.2884 0.2884

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 2.7 uM Inhibition of uPA (unknown origin) ChEMBL. 18163548
IC50 (binding) = 2.7 uM Inhibition of uPA (unknown origin) ChEMBL. 18163548

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

1 literature reference was collected for this gene.

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