Detailed information for compound 838153

Basic information

Technical information
  • TDR Targets ID: 838153
  • Name: N,N-diethyl-3-(2-nitrophenoxy)propan-1-amine
  • MW: 252.309 | Formula: C13H20N2O3
  • H donors: 0 H acceptors: 2 LogP: 2.85 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(CCCOc1ccccc1[N+](=O)[O-])CC
  • InChi: 1S/C13H20N2O3/c1-3-14(4-2)10-7-11-18-13-9-6-5-8-12(13)15(16)17/h5-6,8-9H,3-4,7,10-11H2,1-2H3
  • InChiKey: LWVXLTKYSRRWNQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • diethyl-[3-(2-nitrophenoxy)propyl]amine
  • CBMicro_019872
  • BIM-0020087.P001

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
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0061 0.0712 0.0712
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0043 0.0463 0.0463
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0699 0.9501 1
Loa Loa (eye worm) nuclear hormone receptor 0.002 0.015 0.0157
Loa Loa (eye worm) hypothetical protein 0.0023 0.0183 0.0193
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0017 0.01 0.5
Brugia malayi CXXC zinc finger family protein 0.0031 0.0291 0.0204
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.0157
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0578 0.0508
Onchocerca volvulus 0.0042 0.0448 0.0309
Brugia malayi nuclear receptor RXR 0.0023 0.0183 0.0089
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.0463 0.0386
Schistosoma mansoni retinoic acid receptor RXR 0.0043 0.0463 0.0367
Brugia malayi hypothetical protein 0.002 0.015 0.0053
Brugia malayi ecdysone receptor 0.002 0.015 0.0053
Schistosoma mansoni steroid hormone receptor ad4bp 0.0043 0.0463 0.0367
Brugia malayi hypothetical protein 0.002 0.015 0.0053
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.0463 0.0463
Schistosoma mansoni hypothetical protein 0.0051 0.0578 0.0483
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0184 0.2411 0.2411
Brugia malayi nuclear hormone receptor 0.0699 0.9501 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0061 0.0712 0.0712
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.002 0.015 0.015
Loa Loa (eye worm) hypothetical protein 0.0017 0.01 0.0105
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0063 0.0733 0.0733
Loa Loa (eye worm) hypothetical protein 0.0043 0.0463 0.0487
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.002 0.015 0.015
Brugia malayi hypothetical protein 0.0042 0.0448 0.0371
Loa Loa (eye worm) hypothetical protein 0.0023 0.0183 0.0193
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0063 0.0733 0.0733
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.0157
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.0463 0.0386
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0043 0.0463 0.0463
Brugia malayi conserved hypotetical protein 0.002 0.015 0.0053
Echinococcus multilocularis tumor protein p63 0.036 0.483 0.483
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0043 0.0463 0.0386
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0043 0.0463 0.0463
Schistosoma mansoni lipoxygenase 0.0184 0.2411 0.2335
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.0157
Echinococcus granulosus thyroid hormone receptor alpha 0.002 0.015 0.015
Echinococcus multilocularis Nuclear hormone receptor HR96 0.002 0.015 0.015
Loa Loa (eye worm) nuclear receptor NHR-67 0.002 0.015 0.0157
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0043 0.0463 0.0367
Schistosoma mansoni cellular tumor antigen P53 0.0053 0.0596 0.0501
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.0463 0.0463
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.0157
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.0157
Brugia malayi Nuclear hormone receptor-like 1 0.0043 0.0463 0.0386
Loa Loa (eye worm) hypothetical protein 0.0043 0.0463 0.0487
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.0157
Schistosoma mansoni nuclear receptor 0.002 0.015 0.005
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0023 0.0183 0.0183
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0448 0.0448
Loa Loa (eye worm) doublecortin family protein 0.0042 0.0448 0.0472
Echinococcus multilocularis phd:f box containing protein 0.0017 0.01 0.01
Onchocerca volvulus Protein ultraspiracle homolog 0.0043 0.0463 0.0324
Loa Loa (eye worm) hypothetical protein 0.0042 0.0448 0.0472
Echinococcus multilocularis FTZ F1 alpha 0.0043 0.0463 0.0463
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0448 0.0448
Echinococcus granulosus tumor protein p63 0.036 0.483 0.483
Schistosoma mansoni lipoxygenase 0.0109 0.1369 0.1282
Brugia malayi hypothetical protein 0.0023 0.0183 0.0089
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.0757 0.0664
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0722 0.9814 1
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.0157
Schistosoma mansoni jumonji/arid domain-containing protein 0.0064 0.0757 0.0664
Echinococcus granulosus Polycystic kidney disease protein 0.0042 0.0448 0.0448
Brugia malayi nuclear receptor NHR-88 0.002 0.015 0.0053
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0043 0.0463 0.0367
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.0463 0.0386
Onchocerca volvulus 0.0053 0.0596 0.0462
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0043 0.0463 0.0386
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0043 0.0463 0.0463
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0184 0.2411 0.2411
Schistosoma mansoni survival motor neuron protein 0.0051 0.0578 0.0483
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0043 0.0463 0.0463
Brugia malayi Steroid receptor seven-up type 2 0.0043 0.0463 0.0386
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0043 0.0463 0.0487
Schistosoma mansoni nuclear receptor 0.002 0.015 0.005
Loa Loa (eye worm) hypothetical protein 0.0043 0.0463 0.0487
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0065 0.0764 0.0671
Plasmodium falciparum LCCL domain-containing protein 0.0042 0.0448 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0043 0.0463 0.0386
Schistosoma mansoni rab6-interacting 0.0042 0.0448 0.0352
Echinococcus granulosus lysine specific demethylase 5A 0.0064 0.0757 0.0757
Brugia malayi nuclear receptor RXR 0.002 0.015 0.0053
Echinococcus granulosus survival motor neuron protein 1 0.0252 0.3341 0.3341
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0183 0.0089
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0023 0.0183 0.0084
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.01 0.0105
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.0157
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0043 0.0463 0.0487
Loa Loa (eye worm) steroid hormone receptor 0.0043 0.0463 0.0487
Echinococcus multilocularis dnaJ subfamily B 0.0436 0.5874 0.5874
Loa Loa (eye worm) hypothetical protein 0.0023 0.0183 0.0193
Schistosoma mansoni cpg binding protein 0.0032 0.0315 0.0218
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0757 0.0797
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0061 0.0712 0.0618
Loa Loa (eye worm) hypothetical protein 0.0023 0.0183 0.0193
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0043 0.0463 0.0386
Loa Loa (eye worm) hypothetical protein 0.0679 0.9221 0.9705
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0043 0.0463 0.0463
Echinococcus multilocularis microtubule associated protein 2 0.0735 1 1
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.0157
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0124 0.0124
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0291 0.0306
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.0157
Brugia malayi Doublecortin family protein 0.0042 0.0448 0.0371
Loa Loa (eye worm) DR-78 0.002 0.015 0.0157
Echinococcus multilocularis ecdysone induced protein 78C 0.0043 0.0463 0.0463
Echinococcus granulosus ecdysone induced protein 78C 0.0043 0.0463 0.0463
Onchocerca volvulus 0.0031 0.0291 0.0147
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.002 0.015 0.005
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0043 0.0463 0.0463
Onchocerca volvulus 0.0042 0.0448 0.0309
Schistosoma mansoni nuclear hormone receptor 0.002 0.015 0.005
Brugia malayi steroid hormone receptor 0.0043 0.0463 0.0386
Loa Loa (eye worm) hypothetical protein 0.0252 0.3341 0.3517
Brugia malayi nuclear hormone receptor family member odr-7 0.002 0.015 0.0053
Schistosoma mansoni nuclear receptor nhr-48 0.002 0.015 0.005
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.002 0.015 0.015
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0061 0.0712 0.0651
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0124 0.0124
Echinococcus granulosus FTZ F1 alpha 0.0043 0.0463 0.0463
Brugia malayi photoreceptor-specific nuclear receptor 0.0043 0.0463 0.0386
Schistosoma mansoni coup transcription factor 0.0043 0.0463 0.0367
Echinococcus granulosus phd:f box containing protein 0.0017 0.01 0.01
Echinococcus granulosus lipoxygenase domain containing protein 0.0042 0.0448 0.0448
Loa Loa (eye worm) hypothetical protein 0.0017 0.01 0.0105
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0668 1
Schistosoma mansoni microtubule-associated protein tau 0.0735 1 1
Brugia malayi hypothetical protein 0.0252 0.3341 0.3448
Echinococcus multilocularis lysine specific demethylase 5A 0.0063 0.0733 0.0733
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0043 0.0463 0.0487
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0017 0.01 0.5
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0061 0.0712 0.5
Schistosoma mansoni polycystin 1-related 0.0042 0.0448 0.0352
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0043 0.0463 0.0386
Schistosoma mansoni RAR-like nuclear receptor 0.0043 0.0463 0.0367
Loa Loa (eye worm) hypothetical protein 0.0043 0.0463 0.0487
Brugia malayi hypothetical protein 0.0023 0.0183 0.0089
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0043 0.0463 0.0367
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0043 0.0463 0.0386
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0043 0.0463 0.0487
Echinococcus granulosus jumonji domain containing 1A 0.0017 0.01 0.01
Echinococcus granulosus nuclear receptor 2DBD gamma 0.002 0.015 0.015
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0043 0.0463 0.0463
Loa Loa (eye worm) hypothetical protein 0.0042 0.0448 0.0472
Echinococcus multilocularis lysine specific demethylase 6a 0.0017 0.01 0.01
Schistosoma mansoni thyroid hormone receptor 0.0043 0.0463 0.0367
Loa Loa (eye worm) hypothetical protein 0.0043 0.0463 0.0487
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0023 0.0183 0.0193
Echinococcus multilocularis Nuclear hormone receptor HR96 0.002 0.015 0.015
Brugia malayi tailless protein 0.002 0.015 0.0053
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0023 0.0183 0.0084
Echinococcus granulosus JmjC domain containing protein 4 0.0017 0.01 0.01
Brugia malayi nuclear receptor NHR-67 0.002 0.015 0.0053
Echinococcus multilocularis JmjC domain containing protein 4 0.0017 0.01 0.01
Echinococcus granulosus lysine specific demethylase 6a 0.0017 0.01 0.01
Echinococcus granulosus Nuclear hormone receptor HR96 0.002 0.015 0.015
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.002 0.015 0.005
Echinococcus multilocularis Polycystic kidney disease protein 0.0042 0.0448 0.0448
Echinococcus multilocularis cpg binding protein 0.0032 0.0315 0.0315
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0061 0.0712 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0463 0.0487
Schistosoma mansoni rab6-interacting 0.0042 0.0448 0.0352
Onchocerca volvulus Bile acid receptor homolog 0.0043 0.0463 0.0324
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0017 0.01 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0043 0.0463 0.0386
Schistosoma mansoni jumonji domain containing protein 0.0063 0.0733 0.064
Echinococcus granulosus dnaJ subfamily B 0.0436 0.5874 0.5874
Schistosoma mansoni zinc finger protein 0.002 0.015 0.005
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0043 0.0463 0.0487
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.0157
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.002 0.015 0.0053
Schistosoma mansoni nuclear hormone receptor 0.002 0.015 0.005
Plasmodium vivax multidomain scavenger receptor, putative 0.0042 0.0448 1
Schistosoma mansoni cpg binding protein 0.0031 0.0291 0.0193
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.002 0.015 0.015
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0043 0.0463 0.0487
Loa Loa (eye worm) hypothetical protein 0.0023 0.0183 0.0193
Onchocerca volvulus 0.0051 0.0578 0.0443
Schistosoma mansoni hypothetical protein 0.0436 0.5874 0.5833
Loa Loa (eye worm) hypothetical protein 0.0017 0.01 0.0105
Brugia malayi Nuclear hormone receptor-like 1 0.0023 0.0183 0.0089
Echinococcus multilocularis jumonji domain containing 1A 0.0017 0.01 0.01
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0061 0.0712 1
Echinococcus granulosus cpg binding protein 0.0032 0.0315 0.0315
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0043 0.0463 0.0386
Brugia malayi jmjC domain containing protein 0.0064 0.0757 0.0699
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0043 0.0463 0.0386
Echinococcus multilocularis RUN 0.0042 0.0448 0.0448
Echinococcus multilocularis nuclear receptor nhr 48 0.002 0.015 0.015
Brugia malayi Nuclear hormone receptor E75 0.002 0.015 0.0053
Schistosoma mansoni thyroid hormone receptor 0.0043 0.0463 0.0367
Schistosoma mansoni cpg binding protein 0.0032 0.0315 0.0218
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0043 0.0463 0.0367
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.01 0.0105
Brugia malayi hypothetical protein 0.0042 0.0448 0.0371
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0043 0.0463 0.0367
Brugia malayi nuclear receptor NHR-88 0.0043 0.0463 0.0386
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.0157
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0655 0.0689
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.01 0.0105
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0043 0.0463 0.0487
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0043 0.0463 0.0463
Brugia malayi nuclear hormone receptor 0.0043 0.0463 0.0386
Echinococcus multilocularis thyroid hormone receptor alpha 0.0043 0.0463 0.0463
Onchocerca volvulus 0.0043 0.0463 0.0324
Echinococcus multilocularis lipoxygenase domain containing protein 0.0042 0.0448 0.0448
Echinococcus granulosus RUN 0.0042 0.0448 0.0448
Schistosoma mansoni nuclear hormone receptor 0.0043 0.0463 0.0367
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0043 0.0463 0.0463
Brugia malayi ecdysteroid receptor 0.0043 0.0463 0.0386
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0043 0.0463 0.0463
Echinococcus multilocularis survival motor neuron protein 1 0.0252 0.3341 0.3341
Loa Loa (eye worm) hypothetical protein 0.0043 0.0463 0.0487
Echinococcus granulosus nuclear receptor nhr 48 0.002 0.015 0.015
Brugia malayi nuclear hormone receptor family member nhr-6 0.002 0.015 0.0053
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0043 0.0463 0.0367
Schistosoma mansoni hypothetical protein 0.0042 0.0448 0.0352
Loa Loa (eye worm) hypothetical protein 0.0053 0.0596 0.0627
Brugia malayi orphan nuclear receptor NR2E1 0.002 0.015 0.0053
Loa Loa (eye worm) hypothetical protein 0.002 0.015 0.0157
Loa Loa (eye worm) hypothetical protein 0.0043 0.0463 0.0487
Brugia malayi Nuclear hormone receptor E75 0.002 0.015 0.0053
Brugia malayi jmjC domain containing protein 0.0063 0.0733 0.0674
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0043 0.0463 0.0386
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0061 0.0712 0.5
Echinococcus granulosus Nuclear hormone receptor HR96 0.002 0.015 0.015
Schistosoma mansoni loxhd1 0.0042 0.0448 0.0352
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0023 0.0183 0.0183

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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