Detailed information for compound 834696

Basic information

Technical information
  • TDR Targets ID: 834696
  • Name: ethyl 1-[2-(2-dimethylaminoethylamino)-2-oxoe thyl]-2,4-dimethyl-5-phenylpyrrole-3-carboxyl ate
  • MW: 371.473 | Formula: C21H29N3O3
  • H donors: 1 H acceptors: 2 LogP: 2.79 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1c(C)n(c(c1C)c1ccccc1)CC(=O)NCCN(C)C
  • InChi: 1S/C21H29N3O3/c1-6-27-21(26)19-15(2)20(17-10-8-7-9-11-17)24(16(19)3)14-18(25)22-12-13-23(4)5/h7-11H,6,12-14H2,1-5H3,(H,22,25)
  • InChiKey: HRBUVHOMGBIFHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 1-[2-(2-dimethylaminoethylamino)-2-oxo-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylate
  • 1-[2-(2-dimethylaminoethylamino)-2-oxoethyl]-2,4-dimethyl-5-phenyl-3-pyrrolecarboxylic acid ethyl ester
  • 1-[2-(2-dimethylaminoethylamino)-2-keto-ethyl]-2,4-dimethyl-5-phenyl-pyrrole-3-carboxylic acid ethyl ester

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 Nuclear hormone receptor family member nhr-49 0.0011 0.0259 0.0259
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0259 0.0279
Echinococcus multilocularis sodium:hydrogen exchanger 7 0.0022 0.1174 0.1268
Brugia malayi Sodium/hydrogen exchanger 8 0.0022 0.1174 0.1174
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0259 0.0279
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0259 0.0279
Loa Loa (eye worm) sodium-hydrogen exchanger NHE1 0.0022 0.1174 0.1174
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0259 0.0259
Entamoeba histolytica hypothetical protein 0.0041 0.2792 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0259 0.0259
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0259 0.0259
Brugia malayi nuclear hormone receptor 0.0011 0.0259 0.0259
Schistosoma mansoni hypothetical protein 0.0022 0.1174 0.1268
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0259 0.0259
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0259 0.0279
Brugia malayi Cytochrome P450 family protein 0.0014 0.0473 0.0473
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0259 0.0259
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0259 0.0259
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0259 0.0279
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0259 0.0279
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0259 0.0279
Entamoeba histolytica hypothetical protein 0.0041 0.2792 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0259 0.0279
Brugia malayi sodium/hydrogen exchanger 3 family protein 0.0115 0.9258 0.9258
Trypanosoma cruzi sodium/hydrogen exchanger, putative 0.0022 0.1174 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0259 0.0279
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0115 0.9258 1
Echinococcus granulosus sodium:hydrogen exchanger 0.0115 0.9258 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.1174 0.1174
Mycobacterium ulcerans ion antiporter, NhaP 0.0022 0.1174 1
Toxoplasma gondii Na+/H+ exchanger NHE1 0.0022 0.1174 0.5
Brugia malayi steroid hormone receptor 0.0011 0.0259 0.0259
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0259 0.0259
Brugia malayi Cytochrome P450 family protein 0.0014 0.0473 0.0473
Schistosoma mansoni hypothetical protein 0.0022 0.1174 0.1268
Plasmodium vivax sodium/hydrogen exchanger 1, putative 0.0022 0.1174 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0259 0.0259
Mycobacterium leprae probable conserved integral membrane transport protein 0.0022 0.1174 0.5
Mycobacterium ulcerans membrane transporter 0.0022 0.1174 1
Echinococcus multilocularis mitochondrial sodium:hydrogen exchanger 9B2 0.0022 0.1174 0.1268
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.0473 0.0473
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0115 0.9258 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0259 0.0279
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0115 0.9258 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0259 0.0279
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0259 0.0279
Schistosoma mansoni sodium/hydrogen exchanger 2 (nhe2) 0.0115 0.9258 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0259 0.0279
Onchocerca volvulus 0.0022 0.1174 0.1017
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0022 0.1174 0.1174
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0115 0.9258 1
Echinococcus granulosus sodium:hydrogen exchanger 2 (nhe2) 0.0093 0.7353 0.7942
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0115 0.9258 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0259 0.0259
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0259 0.0279
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0259 0.0279
Mycobacterium ulcerans potassium/proton antiporter 0.0022 0.1174 1
Toxoplasma gondii Na+/H+ exchanger NHE3 0.0022 0.1174 0.5
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0259 0.0279
Echinococcus multilocularis sodium:hydrogen exchanger 0.0115 0.9258 1
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0259 0.0259
Loa Loa (eye worm) transcription factor SMAD2 0.0124 1 1
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.0022 0.1174 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0259 0.0259
Trypanosoma cruzi Na/H antiporter-like protein, putative 0.0022 0.1174 1
Brugia malayi hypothetical protein 0.0022 0.1174 0.1174
Loa Loa (eye worm) NHE-3 0.0115 0.9258 0.9258
Loa Loa (eye worm) hypothetical protein 0.0115 0.9258 0.9258
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 1 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0259 0.0259
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0259 0.0279
Schistosoma mansoni sodium/hydrogen exchanger 3 (nhe3) 0.0022 0.1174 0.1268
Loa Loa (eye worm) sodium/hydrogen exchanger 0.0115 0.9258 0.9258
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0259 0.0279
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0259 0.0259
Toxoplasma gondii sodium/hydrogen exchanger 3 protein 0.0022 0.1174 0.5
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0259 0.0279
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0259 0.0259
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0259 0.0279
Loa Loa (eye worm) hypothetical protein 0.0011 0.0259 0.0259
Entamoeba histolytica hypothetical protein 0.0041 0.2792 1
Echinococcus granulosus mitochondrial sodium:hydrogen exchanger 9B2 0.0022 0.1174 0.1268
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0259 0.0259
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0259 0.0259
Loa Loa (eye worm) sodium/hydrogen exchanger 3 family protein 0.0115 0.9258 0.9258
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0259 0.0279
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0259 0.0279
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0259 0.0279
Trypanosoma cruzi Na/H antiporter-like protein, putative 0.0022 0.1174 1
Trypanosoma brucei cytochrome P450, putative 0.0014 0.0473 0.5
Mycobacterium tuberculosis Probable conserved integral membrane transport protein YjcE 0.0022 0.1174 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0259 0.0259
Brugia malayi nuclear receptor NHR-88 0.0011 0.0259 0.0259
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0259 0.0259
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0041 0.2792 0.3016
Leishmania major Na/H antiporter-like protein 0.0022 0.1174 1
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0259 0.0279
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0093 0.7353 0.7942
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0259 0.0259
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0259 0.0279
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0259 0.0279
Plasmodium falciparum sodium/hydrogen exchanger, Na+, H+ antiporter 0.0022 0.1174 0.5
Toxoplasma gondii sodium/hydrogen exchanger NHE2 0.0022 0.1174 0.5
Loa Loa (eye worm) hypothetical protein 0.0011 0.0259 0.0259
Echinococcus multilocularis sodium:hydrogen exchanger 2 (nhe2) 0.0115 0.9258 1
Leishmania major hypothetical protein, conserved 0.0022 0.1174 1
Schistosoma mansoni Slc9a7 protein 0.0022 0.1174 0.1268
Onchocerca volvulus Sodium\/hydrogen exchanger homolog 0.0115 0.9258 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0259 0.0279
Trypanosoma cruzi sodium/hydrogen exchanger, putative 0.0022 0.1174 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0259 0.0259
Onchocerca volvulus 0.0022 0.1174 0.1017
Loa Loa (eye worm) hypothetical protein 0.0011 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0011 0.0259 0.0259
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0259 0.0259
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0259 0.0279
Loa Loa (eye worm) hypothetical protein 0.001 0.0127 0.0127
Schistosoma mansoni hypothetical protein 0.0041 0.2792 0.3016
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0259 0.0259
Giardia lamblia Sodium/hydrogen exchanger 3 0.0115 0.9258 0.5
Entamoeba histolytica hypothetical protein 0.0041 0.2792 1
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0115 0.9258 1
Brugia malayi hypothetical protein 0.0041 0.2792 0.2792
Loa Loa (eye worm) hypothetical protein 0.0115 0.9258 0.9258
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0259 0.0279
Echinococcus granulosus sodium:hydrogen exchanger 7 0.0022 0.1174 0.1268
Loa Loa (eye worm) hypothetical protein 0.0011 0.0259 0.0259
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0041 0.2792 0.3016
Brugia malayi ecdysteroid receptor 0.0011 0.0259 0.0259
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0259 0.0259
Loa Loa (eye worm) hypothetical protein 0.0011 0.0259 0.0259
Schistosoma mansoni sodium/hydrogen exchanger 0.0115 0.9258 1
Wolbachia endosymbiont of Brugia malayi Kef-type K+ transport system, membrane component 0.0022 0.1174 0.5
Brugia malayi sodium/hydrogen exchanger 3 family protein 0.0022 0.1174 0.1174
Loa Loa (eye worm) cytochrome P450 family protein 0.0014 0.0473 0.0473
Echinococcus granulosus sodium:hydrogen exchanger 2 nhe2 0.0115 0.9258 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0259 0.0259
Schistosoma mansoni coup transcription factor 0.0011 0.0259 0.0279
Echinococcus granulosus sodium:hydrogen exchanger 0.0115 0.9258 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.9258 0.9258
Schistosoma mansoni transcription factor LCR-F1 0.0041 0.2792 0.3016
Echinococcus multilocularis sodium:hydrogen exchanger 0.0115 0.9258 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0259 0.0279
Loa Loa (eye worm) CYP4Cod1 0.0014 0.0473 0.0473

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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