Detailed information for compound 1329856

Basic information

Technical information
  • TDR Targets ID: 1329856
  • Name: 5-ethyl-4-methoxycarbonyl-3-methyl-1H-pyrrole -2-carboxylic acid
  • MW: 211.215 | Formula: C10H13NO4
  • H donors: 2 H acceptors: 3 LogP: 1.62 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)c1c(CC)[nH]c(c1C)C(=O)O
  • InChi: 1S/C10H13NO4/c1-4-6-7(10(14)15-3)5(2)8(11-6)9(12)13/h11H,4H2,1-3H3,(H,12,13)
  • InChiKey: USHDUEUJFBPDNZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-carbomethoxy-5-ethyl-3-methyl-1H-pyrrole-2-carboxylic acid
  • MLS000760149
  • SMR000368572

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
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
Schistosoma mansoni hypothetical protein 0.0191 0.0448 0.0448
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1952 0.4685 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0069 0.0154 0.0154
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0034 0.5
Brugia malayi CHE-14 protein 0.1713 0.411 0.4103
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0008 0.0008
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.4162 1 1
Echinococcus granulosus geminin 0.0191 0.0448 0.044
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0067 0.0054
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0034 0.0026
Loa Loa (eye worm) hypothetical protein 0.0015 0.0025 0.0012
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0034 0.0058
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0034 0.0058
Toxoplasma gondii histone lysine methyltransferase SET1 0.0061 0.0136 1
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.4162 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0034 0.0021
Onchocerca volvulus 0.0033 0.0067 1
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.1952 0.4685 1
Loa Loa (eye worm) hypothetical protein 0.4162 1 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0027 0.0014
Echinococcus multilocularis geminin 0.0191 0.0448 0.044
Schistosoma mansoni intermediate filament proteins 0.0033 0.0067 0.0067
Schistosoma mansoni cpg binding protein 0.0034 0.0071 0.0071
Schistosoma mansoni lamin 0.0033 0.0067 0.0067
Brugia malayi CXXC zinc finger family protein 0.0032 0.0067 0.0054
Echinococcus multilocularis musashi 0.0033 0.0067 0.0059
Echinococcus granulosus Niemann Pick C1 protein 0.1713 0.411 0.4106
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.4162 1 1
Onchocerca volvulus 0.0033 0.0067 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0034 0.0026
Trichomonas vaginalis conserved hypothetical protein 0.1713 0.411 0.8771
Echinococcus multilocularis Niemann Pick C1 protein 0.1713 0.411 0.4106
Schistosoma mansoni cpg binding protein 0.0032 0.0067 0.0067
Loa Loa (eye worm) hypothetical protein 0.0015 0.0025 0.0012
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0067 0.0054
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0034 0.5
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.4162 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0066 0.0053
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.4162 1 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.0067 0.0054
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0034 0.0021
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0013 0.0005
Schistosoma mansoni ap endonuclease 0.0019 0.0034 0.0034
Echinococcus granulosus sterol regulatory element binding protein 0.1713 0.411 0.4106
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0013 0.0005
Echinococcus granulosus intermediate filament protein 0.0033 0.0067 0.0059
Echinococcus multilocularis lamin 0.0033 0.0067 0.0059
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0031 0.0018
Schistosoma mansoni hypothetical protein 0.0191 0.0448 0.0448
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1952 0.4685 1
Schistosoma mansoni cpg binding protein 0.0034 0.0071 0.0071
Echinococcus granulosus cpg binding protein 0.0034 0.0071 0.0063
Brugia malayi intermediate filament protein 0.0033 0.0067 0.0055
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0034 0.5
Echinococcus granulosus lamin 0.0033 0.0067 0.0059
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.0034 0.5
Loa Loa (eye worm) hypothetical protein 0.1713 0.411 0.4103
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.1952 0.4685 1
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.4162 1 1
Echinococcus multilocularis sterol regulatory element binding protein 0.1713 0.411 0.4106
Schistosoma mansoni niemann-pick C1 (NPC1) 0.1713 0.411 0.411
Schistosoma mansoni lamin 0.0033 0.0067 0.0067
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0027 0.0019
Echinococcus granulosus lamin dm0 0.0033 0.0067 0.0059
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.4162 1 1
Echinococcus multilocularis lamin dm0 0.0033 0.0067 0.0059
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0067 0.0055
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.1713 0.411 0.4103
Echinococcus multilocularis cpg binding protein 0.0034 0.0071 0.0063
Echinococcus multilocularis protein patched 0.1713 0.411 0.4106
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0027 0.0019
Echinococcus granulosus Protein patched homolog 1 0.1713 0.411 0.4106
Schistosoma mansoni patched 1 0.1713 0.411 0.411
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0034 0.5
Schistosoma mansoni ap endonuclease 0.0019 0.0034 0.0034
Echinococcus multilocularis protein dispatched 1 0.1713 0.411 0.4106
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0034 0.5
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.4162 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0067 0.0054
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0031 0.0018

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.005 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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