Detailed information for compound 285698

Basic information

Technical information
  • TDR Targets ID: 285698
  • Name: 2-ethoxy-3-[4-[2-(9H-fluoren-9-yl)ethoxy]phen yl]propanoic acid
  • MW: 402.482 | Formula: C26H26O4
  • H donors: 1 H acceptors: 2 LogP: 5.47 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(C(=O)O)Cc1ccc(cc1)OCCC1c2ccccc2c2c1cccc2
  • InChi: 1S/C26H26O4/c1-2-29-25(26(27)28)17-18-11-13-19(14-12-18)30-16-15-24-22-9-5-3-7-20(22)21-8-4-6-10-23(21)24/h3-14,24-25H,2,15-17H2,1H3,(H,27,28)
  • InChiKey: RJPILEUQKHRVTM-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-ethoxy-3-[4-[2-(9H-fluoren-9-yl)ethoxy]phenyl]propionic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens peroxisome proliferator-activated receptor gamma Starlite/ChEMBL References
Homo sapiens peroxisome proliferator-activated receptor alpha Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K08701 nuclear receptor, subfamily 1, invertebrate, putative Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma japonicum IPR008946,Nuclear receptor, ligand-binding,domain-containing Get druggable targets OG5_137778 All targets in OG5_137778
Schistosoma mansoni nuclear hormone receptor superfamily protein-related Get druggable targets OG5_137778 All targets in OG5_137778

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi ecdysteroid receptor peroxisome proliferator-activated receptor alpha 468 aa 397 aa 25.4 %
Echinococcus granulosus ecdysone induced protein 78C peroxisome proliferator-activated receptor gamma 477 aa 447 aa 28.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.0162 0.0177 0.0174
Brugia malayi thymidylate synthase 0.7331 0.9648 1
Echinococcus granulosus dihydrofolate reductase 0.0696 0.0882 0.0826
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.0696 0.0882 0.0905
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.0162 0.0177 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.7597 1 1
Brugia malayi dihydrofolate reductase family protein 0.0696 0.0882 0.0826
Loa Loa (eye worm) dihydrofolate reductase 0.0696 0.0882 0.0826
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.0099 0.0093 0.0086
Onchocerca volvulus 0.7331 0.9648 1
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.7331 0.9648 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.0696 0.0882 0.0905
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.7331 0.9648 1
Brugia malayi hypothetical protein 0.3487 0.457 0.4686
Mycobacterium leprae PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS) 0.0099 0.0093 0.0086
Chlamydia trachomatis dihydrofolate reductase 0.0696 0.0882 0.5
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0427 0.0526 0.0454
Echinococcus multilocularis dihydrofolate reductase 0.0696 0.0882 0.0826
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.7597 1 1
Brugia malayi Dihydrofolate reductase 0.0696 0.0882 0.0826
Mycobacterium ulcerans thymidylate synthase 0.7331 0.9648 1
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.0696 0.0882 0.0905
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.3487 0.457 0.4519
Trichomonas vaginalis conserved hypothetical protein 0.3487 0.457 1
Onchocerca volvulus Putative folylpolyglutamate synthase 0.0099 0.0093 0.0096
Loa Loa (eye worm) thymidylate synthase 0.7331 0.9648 1
Onchocerca volvulus 0.0036 0.001 0.001
Mycobacterium ulcerans folylpolyglutamate synthase protein FolC 0.0099 0.0093 0.0086
Echinococcus multilocularis thymidylate synthase 0.7331 0.9648 1
Treponema pallidum folylpolyglutamate synthetase (folC) 0.0099 0.0093 0.5
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT 0.0162 0.0177 0.0174
Schistosoma mansoni dihydrofolate reductase 0.0696 0.0882 0.0826
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.7597 1 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.7597 1 1
Mycobacterium tuberculosis Hypothetical protein 0.3487 0.457 0.4732
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.7331 0.9648 1
Echinococcus granulosus thymidylate synthase 0.7331 0.9648 1
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.7597 1 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.49 uM In vitro transactivation using receptor transactivation assay against hPPAR gamma ChEMBL. 11831892
EC50 (functional) = 0.49 uM In vitro transactivation using receptor transactivation assay against hPPAR gamma ChEMBL. 11831892
EC50 (functional) = 11.7 uM In vitro transactivation using receptor transactivation assay against hPPAR alpha ChEMBL. 11831892
EC50 (functional) = 11.7 uM In vitro transactivation using receptor transactivation assay against hPPAR alpha ChEMBL. 11831892
Max (functional) = 84.7 % Fold activation relative to maximum hPPAR alpha activation obtained with WY14643 ChEMBL. 11831892
Max (functional) = 84.7 % Fold activation relative to maximum hPPAR alpha activation obtained with WY14643 ChEMBL. 11831892
Max (functional) = 127 % Fold activation relative to maximum activation obtained with rosiglitazone ChEMBL. 11831892
Max (functional) = 127 % Fold activation relative to maximum activation obtained with rosiglitazone ChEMBL. 11831892

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

1 literature reference was collected for this gene.

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