Detailed information for compound 828464

Basic information

Technical information
  • TDR Targets ID: 828464
  • Name: 4-[[(2-ethoxyphenyl)methylamino]methyl]-1-[(2 -fluorophenyl)methyl]-2,5-dimethylpyrrole-3-c arboxylic acid
  • MW: 410.481 | Formula: C24H27FN2O3
  • H donors: 2 H acceptors: 2 LogP: 1.61 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1ccccc1CNCc1c(C(=O)O)c(n(c1C)Cc1ccccc1F)C
  • InChi: 1S/C24H27FN2O3/c1-4-30-22-12-8-6-9-18(22)13-26-14-20-16(2)27(17(3)23(20)24(28)29)15-19-10-5-7-11-21(19)25/h5-12,26H,4,13-15H2,1-3H3,(H,28,29)
  • InChiKey: SGVXRMYUWZJLNE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[(2-ethoxyphenyl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-pyrrole-3-carboxylic acid
  • 4-[[(2-ethoxyphenyl)methylamino]methyl]-1-[(2-fluorophenyl)methyl]-2,5-dimethyl-3-pyrrolecarboxylic acid
  • 4-[[(2-ethoxybenzyl)amino]methyl]-1-(2-fluorobenzyl)-2,5-dimethyl-pyrrole-3-carboxylic acid

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
Onchocerca volvulus 0.2795 0.8803 1
Schistosoma mansoni protein kinase C mu 0.0253 0.0032 0.011
Echinococcus granulosus NDR protein kinase 0.0347 0.0355 0.1221
Loa Loa (eye worm) hypothetical protein 0.3039 0.9645 0.9645
Echinococcus granulosus Protein kinase C brain isozyme 0.1087 0.2909 1
Schistosoma mansoni atypical protein kinase C 0.0677 0.1495 0.514
Brugia malayi p70 ribosomal S6 kinase beta 0.0347 0.0355 0.2037
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0347 0.0355 0.1221
Schistosoma mansoni serine/threonine protein kinase 0.0347 0.0355 0.1221
Schistosoma mansoni serine/threonine protein kinase 0.0347 0.0355 0.1221
Schistosoma mansoni serine/threonine protein kinase 0.0253 0.0032 0.011
Brugia malayi Protein kinase domain containing protein 0.0347 0.0355 0.2037
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0253 0.0032 0.011
Echinococcus multilocularis serine:threonine protein kinase 38 0.0347 0.0355 0.1221
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0743 0.1722 0.1722
Echinococcus multilocularis Protein kinase C, brain isozyme 0.1087 0.2909 1
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0253 0.0032 0.011
Loa Loa (eye worm) AGC/NDR protein kinase 0.0347 0.0355 0.0355
Trichomonas vaginalis AGC family protein kinase 0.0347 0.0355 1
Echinococcus granulosus RNA directed DNA polymerase 0.0478 0.0809 0.278
Echinococcus multilocularis protein kinase c epsilon type 0.0743 0.1722 0.5919
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0347 0.0355 0.1221
Echinococcus multilocularis death associated protein kinase 1 0.0804 0.1932 0.6641
Schistosoma mansoni serine/threonine kinase 0.0347 0.0355 0.1221
Schistosoma mansoni unc-13 (munc13) 0.0262 0.0061 0.021
Echinococcus granulosus unc 13 munc13 0.0262 0.0061 0.021
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0347 0.0355 0.1221
Loa Loa (eye worm) hypothetical protein 0.0722 0.1651 0.1651
Entamoeba histolytica protein kinase, putative 0.0347 0.0355 1
Echinococcus granulosus protein kinase c iota type 0.0671 0.1475 0.507
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0478 0.0809 0.278
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0253 0.0032 0.0183
Trichomonas vaginalis AGC family protein kinase 0.0347 0.0355 1
Echinococcus multilocularis protein kinase c iota type 0.0671 0.1475 0.507
Brugia malayi Protein kinase domain containing protein 0.0347 0.0355 0.2037
Schistosoma mansoni serine/threonine protein kinase 0.0253 0.0032 0.011
Schistosoma mansoni serine/threonine protein kinase 0.1087 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.2795 0.8803 0.8803
Trichomonas vaginalis AGC family protein kinase 0.0347 0.0355 1
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0347 0.0355 0.1221
Echinococcus multilocularis RNA directed DNA polymerase 0.0478 0.0809 0.278
Brugia malayi C1-like domain containing protein 0.0253 0.0032 0.0183
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0347 0.0355 0.0355
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.0505 0.0902 0.0902
Onchocerca volvulus 0.0262 0.0061 0.0069
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.034 0.033 0.033
Loa Loa (eye worm) AGC/AKT protein kinase 0.0347 0.0355 0.0355
Schistosoma mansoni serine/threonine protein kinase 0.0347 0.0355 0.1221
Schistosoma mansoni unc-13 (munc13) 0.0262 0.0061 0.021
Loa Loa (eye worm) AGC/PKN protein kinase 0.0347 0.0355 0.0355
Schistosoma mansoni serine/threonine protein kinase 0.1087 0.2909 1
Loa Loa (eye worm) hypothetical protein 0.0262 0.0061 0.0061
Brugia malayi protein kinase C3,putative 0.0334 0.0309 0.1775
Echinococcus granulosus serine:threonine protein kinase N2 0.0347 0.0355 0.1221
Echinococcus multilocularis unc 13 (munc13) 0.0262 0.0061 0.021
Loa Loa (eye worm) hypothetical protein 0.2795 0.8803 0.8803
Echinococcus granulosus protein kinase c epsilon type 0.0743 0.1722 0.5919
Brugia malayi Protein kinase domain containing protein 0.0347 0.0355 0.2037
Schistosoma mansoni serine/threonine protein kinase 0.0743 0.1722 0.5919
Trichomonas vaginalis AGC family protein kinase 0.0347 0.0355 1
Trichomonas vaginalis AGC family protein kinase 0.0347 0.0355 1
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0347 0.0355 0.0355
Echinococcus multilocularis serine threonine protein kinase 0.0843 0.2067 0.7105
Entamoeba histolytica protein kinase, putative 0.0347 0.0355 1
Trypanosoma brucei rac serine-threonine kinase, putative 0.0347 0.0355 0.5
Entamoeba histolytica protein kinase, putative 0.0347 0.0355 1
Brugia malayi Hr1 repeat family protein 0.0347 0.0355 0.2037
Toxoplasma gondii AGC kinase 0.0347 0.0355 1
Entamoeba histolytica protein kinase, putative 0.0347 0.0355 1
Echinococcus granulosus protein kinase C gamma type 0.0843 0.2067 0.7105
Trichomonas vaginalis AGC family protein kinase 0.0347 0.0355 1
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0347 0.0355 0.1221
Trichomonas vaginalis AGC family protein kinase 0.0347 0.0355 1
Trichomonas vaginalis AGC family protein kinase 0.0347 0.0355 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0481 0.0819 0.2815
Brugia malayi Protein kinase c protein 2 0.0749 0.1744 1
Trichomonas vaginalis AGC family protein kinase 0.0347 0.0355 1
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0253 0.0032 0.0032
Loa Loa (eye worm) hypothetical protein 0.0478 0.0809 0.0809
Trichomonas vaginalis AGC family protein kinase 0.0347 0.0355 1
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0262 0.0061 0.021
Brugia malayi Protein kinase domain containing protein 0.0253 0.0032 0.0183
Loa Loa (eye worm) hypothetical protein 0.2795 0.8803 0.8803
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0347 0.0355 0.1221
Echinococcus multilocularis serine:threonine protein kinase N2 0.0347 0.0355 0.1221
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0262 0.0061 0.021
Trichomonas vaginalis AGC family protein kinase 0.0347 0.0355 1
Brugia malayi protein kinase C II. 0.0743 0.1722 0.9874
Schistosoma mansoni protein kinase C 0.0262 0.0061 0.021
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0347 0.0355 0.0355
Schistosoma mansoni serine/threonine protein kinase 0.0347 0.0355 0.1221
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0347 0.0355 0.0355

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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