Detailed information for compound 1446945

Basic information

Technical information
  • TDR Targets ID: 1446945
  • Name: 2-[2-[(5-chloro-2,4-dimethoxyphenyl)amino]-2- oxoethyl]-1,4-dimethylpyrrole-3-carboxylic ac id
  • MW: 366.796 | Formula: C17H19ClN2O5
  • H donors: 2 H acceptors: 3 LogP: 1.93 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)c(cc1NC(=O)Cc1n(C)cc(c1C(=O)O)C)Cl
  • InChi: 1S/C17H19ClN2O5/c1-9-8-20(2)12(16(9)17(22)23)6-15(21)19-11-5-10(18)13(24-3)7-14(11)25-4/h5,7-8H,6H2,1-4H3,(H,19,21)(H,22,23)
  • InChiKey: ODMGFCPBVLIEFD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-[(5-chloro-2,4-dimethoxy-phenyl)amino]-2-oxo-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid
  • 2-[2-[(5-chloro-2,4-dimethoxyphenyl)amino]-2-oxoethyl]-1,4-dimethyl-3-pyrrolecarboxylic acid
  • 2-[2-[(5-chloro-2,4-dimethoxy-phenyl)amino]-2-keto-ethyl]-1,4-dimethyl-pyrrole-3-carboxylic acid
  • G955-0023
  • NCGC00137900-01

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
Echinococcus multilocularis cytoplasmic intermediate filament 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
Echinococcus multilocularis musashi 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
Schistosoma japonicum expressed 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
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
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
Brugia malayi Intermediate filament tail domain containing protein 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 ko:K07611 lamin, putative 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
Brugia malayi intermediate filament 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin 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 lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein 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) hypothetical protein 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
Loa Loa (eye worm) intermediate filament protein 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
Toxoplasma gondii aminopeptidase n, putative 0.0238 0.0494 0.5
Toxoplasma gondii aminopeptidase N protein 0.0238 0.0494 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0238 0.0494 0.0462
Loa Loa (eye worm) hypothetical protein 0.0033 0.0034 0.0034
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0238 0.0494 0.5
Onchocerca volvulus 0.0238 0.0494 1
Trypanosoma cruzi Aminopeptidase M1, putative 0.0238 0.0494 0.5
Brugia malayi Peptidase family M1 containing protein 0.0238 0.0494 0.108
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0238 0.0494 0.5
Toxoplasma gondii aminopeptidase N, putative 0.0238 0.0494 0.5
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0238 0.0494 0.0462
Loa Loa (eye worm) leukotriene A4 hydrolase 0.448 1 1
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0238 0.0494 0.0462
Onchocerca volvulus 0.0238 0.0494 1
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0238 0.0494 0.5
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0238 0.0494 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0238 0.0494 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0034 0.0034
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0238 0.0494 0.0462
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0238 0.0494 0.0462
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0238 0.0494 0.5
Entamoeba histolytica aminopeptidase, putative 0.0238 0.0494 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0238 0.0494 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0238 0.0494 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0238 0.0494 0.0462
Trypanosoma brucei Aminopeptidase M1, putative 0.0238 0.0494 0.5
Brugia malayi Peptidase family M1 containing protein 0.0238 0.0494 0.108
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0238 0.0494 0.5
Echinococcus granulosus aminopeptidase N 0.0238 0.0494 0.0462
Loa Loa (eye worm) hypothetical protein 0.0238 0.0494 0.0494
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0238 0.0494 0.0462
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0238 0.0494 0.0462
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.448 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0238 0.0494 0.0462
Brugia malayi hypothetical protein 0.0238 0.0494 0.108
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0034 0.0034
Loa Loa (eye worm) hypothetical protein 0.0032 0.0033 0.0033
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0238 0.0494 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0238 0.0494 0.5
Loa Loa (eye worm) hypothetical protein 0.0238 0.0494 0.0494
Onchocerca volvulus 0.0238 0.0494 1
Loa Loa (eye worm) peptidase family M1 containing protein 0.0238 0.0494 0.0494
Brugia malayi Peptidase family M1 containing protein 0.0238 0.0494 0.108
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0238 0.0494 0.0462
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0238 0.0494 0.0462
Mycobacterium ulcerans aminopeptidase N PepN 0.0238 0.0494 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0238 0.0494 0.5
Loa Loa (eye worm) aminopeptidase N 0.0238 0.0494 0.0494
Mycobacterium ulcerans aminopeptidase N PepN 0.0238 0.0494 0.5
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0238 0.0494 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0034 0.0074
Loa Loa (eye worm) TATA binding protein associated factor 0.0238 0.0494 0.0494
Echinococcus multilocularis aminopeptidase N 0.0238 0.0494 0.0462
Brugia malayi TATA binding protein associated factor 0.0238 0.0494 0.108
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0238 0.0494 0.5
Schistosoma mansoni aminopeptidase A (M01 family) 0.0238 0.0494 0.0462
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0238 0.0494 0.5
Loa Loa (eye worm) hypothetical protein 0.0238 0.0494 0.0494
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0238 0.0494 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0238 0.0494 0.5
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.0238 0.0494 0.5
Echinococcus multilocularis leukotriene A 4 hydrolase 0.448 1 1
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0238 0.0494 0.0462
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0238 0.0494 0.0462
Brugia malayi hypothetical protein 0.206 0.4576 1
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0238 0.0494 0.5
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0238 0.0494 0.0462
Brugia malayi intermediate filament protein 0.0033 0.0034 0.0074
Trypanosoma brucei aminopeptidase, putative 0.0238 0.0494 0.5
Brugia malayi hypothetical protein 0.0238 0.0494 0.108
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0238 0.0494 0.5
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0238 0.0494 0.0462

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.01 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference

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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