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

Hover on a compound node to display the structore

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

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.