Detailed information for compound 310283

Basic information

Technical information
  • TDR Targets ID: 310283
  • Name: 6-[2-[2-[2-(carboxymethyl)phenoxy]ethyl]-3-ox o-1,4-benzoxazin-4-yl]-2,2-dimethylhexanoic a cid
  • MW: 469.527 | Formula: C26H31NO7
  • H donors: 2 H acceptors: 5 LogP: 4.08 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cc1ccccc1OCCC1Oc2ccccc2N(C1=O)CCCCC(C(=O)O)(C)C
  • InChi: 1S/C26H31NO7/c1-26(2,25(31)32)14-7-8-15-27-19-10-4-6-12-21(19)34-22(24(27)30)13-16-33-20-11-5-3-9-18(20)17-23(28)29/h3-6,9-12,22H,7-8,13-17H2,1-2H3,(H,28,29)(H,31,32)
  • InChiKey: ZFPANAVPFNNBNO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-[2-[2-[2-(carboxymethyl)phenoxy]ethyl]-3-oxo-1,4-benzoxazin-4-yl]-2,2-dimethyl-hexanoic acid
  • 6-[2-[2-[2-(carboxymethyl)phenoxy]ethyl]-3-keto-1,4-benzoxazin-4-yl]-2,2-dimethyl-hexanoic acid

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Loa Loa (eye worm) hypothetical protein 0.0027 0.0348 0.1778
Brugia malayi ecdysteroid receptor 0.0027 0.0348 0.2485
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0027 0.0348 0.0245
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.012 0.5
Schistosoma mansoni thyroid hormone receptor 0.0027 0.0348 0.023
Schistosoma mansoni coup transcription factor 0.0027 0.0348 0.023
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0027 0.0348 0.2485
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.012 0.5
Onchocerca volvulus Bile acid receptor homolog 0.0027 0.0348 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.1399 1
Schistosoma mansoni retinoic acid receptor RXR 0.0261 1 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0027 0.0348 0.2485
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0027 0.0348 0.2485
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0027 0.0348 0.023
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0027 0.0348 0.023
Brugia malayi photoreceptor-specific nuclear receptor 0.0027 0.0348 0.2485
Toxoplasma gondii LsmAD domain-containing protein 0.0029 0.0424 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0348 0.1778
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.0348 0.023
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0027 0.0348 0.5
Brugia malayi nuclear hormone receptor 0.0027 0.0348 0.2485
Loa Loa (eye worm) hypothetical protein 0.0027 0.0348 0.1778
Loa Loa (eye worm) hypothetical protein 0.0029 0.0424 0.2376
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.0348 0.0245
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0027 0.0348 0.1778
Loa Loa (eye worm) hypothetical protein 0.0027 0.0348 0.1778
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.012 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0027 0.0348 0.2485
Loa Loa (eye worm) hypothetical protein 0.0027 0.0348 0.1778
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0027 0.0348 0.2485
Brugia malayi hypothetical protein 0.0029 0.0424 0.3031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1399 0.1294
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0027 0.0348 0.1778
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1399 0.1294
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0027 0.0348 0.1778
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0027 0.0348 0.2485
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0027 0.0348 0.0245
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0027 0.0348 0.1778
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1399 0.1294
Schistosoma mansoni steroid hormone receptor ad4bp 0.0027 0.0348 0.023
Onchocerca volvulus 0.0027 0.0348 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0348 0.1778
Plasmodium vivax ataxin-2 like protein, putative 0.0029 0.0424 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0027 0.0348 0.023
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0027 0.0348 0.1778
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0424 1
Brugia malayi Steroid receptor seven-up type 2 0.0027 0.0348 0.2485
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0027 0.0348 0.023
Trypanosoma cruzi PAB1-binding protein , putative 0.0029 0.0424 1
Echinococcus granulosus ecdysone induced protein 78C 0.0027 0.0348 0.023
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.012 0.5
Brugia malayi steroid hormone receptor 0.0027 0.0348 0.2485
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0424 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0027 0.0348 0.2485
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.012 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.012 0.086
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0027 0.0348 0.2485
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.1399 0.1294
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0027 0.0348 0.0245
Brugia malayi nuclear receptor NHR-88 0.0027 0.0348 0.2485
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0027 0.0348 0.023
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0027 0.0348 0.023
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.1399 0.1294
Schistosoma mansoni thyroid hormone receptor 0.0027 0.0348 0.023
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0027 0.0348 0.023
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0027 0.0348 0.2485
Leishmania major hypothetical protein, conserved 0.0029 0.0424 1
Echinococcus granulosus FTZ F1 alpha 0.0027 0.0348 0.023
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.012 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.1399 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0027 0.0348 0.023
Onchocerca volvulus Protein ultraspiracle homolog 0.0027 0.0348 0.5
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0027 0.0348 0.2485
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0027 0.0348 0.023
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0027 0.0348 0.2485
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0027 0.0348 0.2485
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.012 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0348 0.1778
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1399 0.1377
Echinococcus multilocularis FTZ F1 alpha 0.0027 0.0348 0.0245
Brugia malayi Nuclear hormone receptor-like 1 0.0027 0.0348 0.2485
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0247 0.9408 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0029 0.0424 1
Schistosoma mansoni nuclear hormone receptor 0.0027 0.0348 0.023
Loa Loa (eye worm) hypothetical protein 0.0027 0.0348 0.1778
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0027 0.0348 0.1778
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0027 0.0348 0.1778
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.012 0.5
Schistosoma mansoni RAR-like nuclear receptor 0.0027 0.0348 0.023
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0027 0.0348 0.023
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0027 0.0348 0.023
Echinococcus multilocularis ecdysone induced protein 78C 0.0027 0.0348 0.0245
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0027 0.0348 0.0245
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0027 0.0348 0.0245
Trypanosoma brucei PAB1-binding protein , putative 0.0029 0.0424 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.1399 0.1377
Echinococcus multilocularis thyroid hormone receptor alpha 0.0027 0.0348 0.0245
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0027 0.0348 0.2485
Loa Loa (eye worm) steroid hormone receptor 0.0027 0.0348 0.1778

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 1000 nM Agonistic activity against PPAR (peroxisome proliferator activated receptor gamma) in Suarus chinesis ChEMBL. 14695833
EC50 (functional) = 1000 nM Agonistic activity against PPAR (peroxisome proliferator activated receptor gamma) in Suarus chinesis ChEMBL. 14695833

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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