Detailed information for compound 834462

Basic information

Technical information
  • TDR Targets ID: 834462
  • Name: ethyl 1-ethyl-3,5-dimethyl-4-[(2-methylphenyl )carbamoyl]pyrrole-2-carboxylate
  • MW: 328.405 | Formula: C19H24N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.48 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1n(CC)c(c(c1C)C(=O)Nc1ccccc1C)C
  • InChi: 1S/C19H24N2O3/c1-6-21-14(5)16(13(4)17(21)19(23)24-7-2)18(22)20-15-11-9-8-10-12(15)3/h8-11H,6-7H2,1-5H3,(H,20,22)
  • InChiKey: ZEOXZSQYVCILLE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-ethyl-3,5-dimethyl-4-[[(2-methylphenyl)amino]-oxomethyl]-2-pyrrolecarboxylic acid ethyl ester
  • 1-ethyl-3,5-dimethyl-4-[(2-methylphenyl)carbamoyl]pyrrole-2-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
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0134 0.4217 1
Trichomonas vaginalis pyridoxal-dependent decarboxylase, putative 0.0134 0.4217 1
Brugia malayi flavodoxin family protein 0.0116 0.3358 0.2472
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0122 0.3668 1
Toxoplasma gondii diaminopimelate decarboxylase 0.0134 0.4217 1
Trichomonas vaginalis sulfite reductase, putative 0.0116 0.3358 0.7965
Trypanosoma brucei ornithine decarboxylase 0.0134 0.4217 1
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0116 0.3358 0.4303
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0134 0.4217 1
Mycobacterium leprae PROBABLE DIAMINOPIMELATE DECARBOXYLASE LYSA (DAP DECARBOXYLASE) 0.0052 0.0188 0.5
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0116 0.3358 0.8757
Brugia malayi Pyridoxal-dependent decarboxylase, pyridoxal binding domain containing protein 0.0134 0.4217 0.3445
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0116 0.3358 0.5
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0116 0.3358 0.8757
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0134 0.4217 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0251 1 1
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0116 0.3358 0.8757
Chlamydia trachomatis sulfite reductase 0.0072 0.1178 0.5
Trichomonas vaginalis ornithine decarboxylase, putative 0.0134 0.4217 1
Loa Loa (eye worm) FAD binding domain-containing protein 0.0116 0.3358 0.2472
Leishmania major p450 reductase, putative 0.0116 0.3358 0.4303
Giardia lamblia Ornithine decarboxylase 0.0134 0.4217 1
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0122 0.3668 1
Loa Loa (eye worm) pyridoxal-dependent decarboxylase 0.0134 0.4217 0.3445
Loa Loa (eye worm) hypothetical protein 0.0116 0.3358 0.2472
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0116 0.3358 0.5
Entamoeba histolytica ornithine decarboxylase, putative 0.0134 0.4217 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0052 0.0188 0.0446
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0116 0.3358 0.5
Trichomonas vaginalis ornithine decarboxylase, putative 0.0134 0.4217 1
Trypanosoma cruzi p450 reductase, putative 0.0116 0.3358 0.5
Leishmania major ornithine decarboxylase, putative 0.0134 0.4217 1
Onchocerca volvulus 0.0134 0.4217 0.5
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0072 0.1178 0.2173
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0134 0.4217 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0059 0.053 0.0136
Schistosoma mansoni cytochrome P450 reductase 0.0116 0.3358 0.9027
Brugia malayi FAD binding domain containing protein 0.0116 0.3358 0.2472
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0116 0.3358 0.8757
Mycobacterium tuberculosis Diaminopimelate decarboxylase LysA (DAP decarboxylase) 0.0134 0.4217 0.5
Schistosoma mansoni lipoxygenase 0.0122 0.3668 1
Loa Loa (eye worm) transcription factor SMAD2 0.0251 1 1
Schistosoma mansoni lipoxygenase 0.0086 0.1859 0.4315
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0116 0.3358 0.4303
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0103 0.271 0.6428
Mycobacterium ulcerans diaminopimelate decarboxylase LysA 0.0134 0.4217 1

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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