Detailed information for compound 828538

Basic information

Technical information
  • TDR Targets ID: 828538
  • Name: 4-[[2-(2-chlorophenyl)ethylamino]methyl]-2,5- dimethyl-1-[(3-methylphenyl)methyl]pyrrole-3- carboxylic acid
  • MW: 410.936 | Formula: C24H27ClN2O2
  • H donors: 2 H acceptors: 2 LogP: 2.62 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)Cn1c(C)c(c(c1C)C(=O)O)CNCCc1ccccc1Cl
  • InChi: 1S/C24H27ClN2O2/c1-16-7-6-8-19(13-16)15-27-17(2)21(23(18(27)3)24(28)29)14-26-12-11-20-9-4-5-10-22(20)25/h4-10,13,26H,11-12,14-15H2,1-3H3,(H,28,29)
  • InChiKey: NBDBGGRFOLDDNP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[[2-(2-chlorophenyl)ethylamino]methyl]-2,5-dimethyl-1-[(3-methylphenyl)methyl]-3-pyrrolecarboxylic acid
  • 4-[[2-(2-chlorophenyl)ethylamino]methyl]-2,5-dimethyl-1-(3-methylbenzyl)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
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0204 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0204 1 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0204 1 1
Schistosoma mansoni thyroid hormone receptor 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.2191 0.2191
Brugia malayi Steroid receptor seven-up type 2 0.0204 1 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0204 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.2191 0.2191
Leishmania major cytochrome p450-like protein 0.0081 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0094 0.1073 0.1073
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.2191 0.2191
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0204 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0204 1 1
Echinococcus granulosus FTZ F1 alpha 0.0204 1 1
Brugia malayi nuclear hormone receptor 0.0096 0.1254 0.1254
Brugia malayi nuclear receptor NHR-67 0.0096 0.1254 0.1254
Brugia malayi Nuclear hormone receptor E75 0.0096 0.1254 0.1254
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.2191 0.2191
Loa Loa (eye worm) hypothetical protein 0.0096 0.1254 0.1254
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0204 1 1
Onchocerca volvulus 0.0204 1 1
Loa Loa (eye worm) nuclear hormone receptor 0.0096 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Brugia malayi nuclear hormone receptor 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0096 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0096 0.1254 0.1254
Trypanosoma brucei cytochrome P450, putative 0.0081 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.0204 1 1
Brugia malayi nuclear receptor RXR 0.0108 0.2191 0.2191
Loa Loa (eye worm) DR-78 0.0096 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0204 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0204 1 1
Brugia malayi nuclear receptor NHR-88 0.0096 0.1254 0.1254
Echinococcus granulosus ecdysone induced protein 78C 0.0204 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0204 1 1
Brugia malayi hypothetical protein 0.0108 0.2191 0.2191
Loa Loa (eye worm) hypothetical protein 0.0096 0.1254 0.1254
Brugia malayi nuclear hormone receptor family member odr-7 0.0096 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0096 0.1254 0.1254
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0096 0.1254 0.1254
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0204 1 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0204 1 1
Brugia malayi Nuclear hormone receptor-like 1 0.0108 0.2191 0.2191
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0108 0.2191 0.1071
Brugia malayi ecdysone receptor 0.0096 0.1254 0.1254
Schistosoma mansoni RAR-like nuclear receptor 0.0204 1 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0204 1 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0204 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.0204 1 1
Onchocerca volvulus Protein ultraspiracle homolog 0.0204 1 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0204 1 1
Echinococcus multilocularis FTZ F1 alpha 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.1254 0.1254
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0204 1 1
Schistosoma mansoni thyroid hormone receptor 0.0204 1 1
Brugia malayi orphan nuclear receptor NR2E1 0.0096 0.1254 0.1254
Brugia malayi Nuclear hormone receptor E75 0.0096 0.1254 0.1254
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0204 1 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0204 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0204 1 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0204 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0096 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0096 0.1254 0.1254
Echinococcus multilocularis thyroid hormone receptor alpha 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0204 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0204 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0204 1 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.2191 0.2191
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.1254 0.1254
Brugia malayi Nuclear hormone receptor-like 1 0.0108 0.2191 0.2191
Loa Loa (eye worm) hypothetical protein 0.0096 0.1254 0.1254
Brugia malayi tailless protein 0.0096 0.1254 0.1254
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0204 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0081 0 0.5
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0108 0.2191 0.1071
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0204 1 1
Brugia malayi conserved hypotetical protein 0.0096 0.1254 0.1254
Schistosoma mansoni steroid hormone receptor ad4bp 0.0204 1 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0204 1 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0108 0.2191 0.2191
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0204 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0081 0 0.5
Schistosoma mansoni nuclear hormone receptor 0.0204 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0108 0.2191 0.1071
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0096 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0096 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0096 0.1254 0.1254
Schistosoma mansoni coup transcription factor 0.0204 1 1
Brugia malayi hypothetical protein 0.0108 0.2191 0.2191
Brugia malayi nuclear receptor NHR-88 0.0204 1 1
Brugia malayi hypothetical protein 0.0096 0.1254 0.1254
Onchocerca volvulus Bile acid receptor homolog 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.1254 0.1254
Brugia malayi steroid hormone receptor 0.0204 1 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0204 1 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0204 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0094 0.1073 0.1073
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0204 1 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0204 1 1
Loa Loa (eye worm) nuclear receptor NHR-67 0.0096 0.1254 0.1254
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0204 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0204 1 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0204 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0081 0 0.5
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0108 0.2191 0.1071
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0204 1 1
Brugia malayi nuclear receptor RXR 0.0096 0.1254 0.1254
Loa Loa (eye worm) hypothetical protein 0.0204 1 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0204 1 1
Brugia malayi hypothetical protein 0.0096 0.1254 0.1254
Brugia malayi Nuclear hormone receptor-like 1 0.0204 1 1
Loa Loa (eye worm) hypothetical protein 0.0204 1 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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