Detailed information for compound 445811

Basic information

Technical information
  • TDR Targets ID: 445811
  • Name: 2-[3,5-dichloro-4-[4-hydroxy-3-(3-methoxyphen yl)phenoxy]phenyl]acetic acid
  • MW: 419.255 | Formula: C21H16Cl2O5
  • H donors: 2 H acceptors: 3 LogP: 5.41 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)c1cc(ccc1O)Oc1c(Cl)cc(cc1Cl)CC(=O)O
  • InChi: 1S/C21H16Cl2O5/c1-27-14-4-2-3-13(10-14)16-11-15(5-6-19(16)24)28-21-17(22)7-12(8-18(21)23)9-20(25)26/h2-8,10-11,24H,9H2,1H3,(H,25,26)
  • InChiKey: GHFDFTOECTVGNW-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[3,5-dichloro-4-[4-hydroxy-3-(3-methoxyphenyl)phenoxy]phenyl]ethanoic acid

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid hormone receptor, alpha Starlite/ChEMBL References
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi Nuclear hormone receptor-like 1 Get druggable targets OG5_156853 All targets in OG5_156853
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) nuclear hormone receptor-like 1 Get druggable targets OG5_156853 All targets in OG5_156853
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_156853 All targets in OG5_156853
Brugia malayi Nuclear hormone receptor-like 1 Get druggable targets OG5_156853 All targets in OG5_156853
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi Nuclear hormone receptor-like 1 Get druggable targets OG5_156853 All targets in OG5_156853

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, alpha 451 aa 372 aa 25.3 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Giardia lamblia Kinase, PLK 0.0094 0.0792 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.155 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0094 0.0792 0.2089
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0792 1
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0792 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0151 0.0752
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0094 0.0792 0.5109
Trypanosoma brucei hypothetical protein, conserved 0.0213 0.2349 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0304 0.0304
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0792 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0151 0.0971
Brugia malayi Nuclear hormone receptor-like 1 0.0306 0.3577 0.9438
Onchocerca volvulus Serine\/threonine kinase homolog 0.0094 0.0792 0.7023
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0151 0.0397
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0151 0.0752
Loa Loa (eye worm) hypothetical protein 0.012 0.1127 0.3152
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0792 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0094 0.0792 0.2213
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0792 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0186 0.2001 0.2001
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.155 0.155
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0792 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0057 0.0304 0.1959
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0151 0.0421
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0094 0.0792 0.0792
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0151 0.0752
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0057 0.0304 0.0801
Onchocerca volvulus Huntingtin homolog 0.012 0.1127 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0304 0.3552 0.9929
Onchocerca volvulus Huntingtin homolog 0.012 0.1127 1
Schistosoma mansoni kinase 0.0048 0.018 0.0901
Loa Loa (eye worm) hypothetical protein 0.012 0.1127 0.3152
Schistosoma mansoni thyroid hormone receptor 0.0186 0.2001 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0057 0.0304 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0151 0.0971
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0054 0.0253 0.0706
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0151 0.0151
Schistosoma mansoni hypothetical protein 0.0152 0.155 0.7744
Leishmania major hypothetical protein, conserved 0.0213 0.2349 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0094 0.0792 0.2387
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0304 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0094 0.0792 0.5
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0057 0.0304 0.1517
Schistosoma mansoni thyroid hormone receptor 0.0186 0.2001 1
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.0792 0.3956
Trichomonas vaginalis CAMK family protein kinase 0.0094 0.0792 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0306 0.3577 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0057 0.0304 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0213 0.2349 1
Brugia malayi Nuclear hormone receptor-like 1 0.0322 0.379 1
Brugia malayi hypothetical protein 0.012 0.1127 0.2975
Brugia malayi Nuclear hormone receptor-like 1 0.0306 0.3577 0.9438
Trypanosoma cruzi hypothetical protein, conserved 0.0213 0.2349 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.53 Inhibition of thyroid hormone receptor alpha (unknown origin) ChEMBL. 17467994
IC50 (binding) = 7.96 Inhibition of human thyroid hormone receptor beta 1 ChEMBL. 17524652
IC50 (binding) = 7.96 Inhibition of thyroid hormone receptor beta (unknown origin) ChEMBL. 17467994
Log IC50 (binding) = 6.53 Inhibition of thyroid hormone receptor alpha (unknown origin) ChEMBL. 17467994
Log IC50 (binding) = 7.96 Inhibition of human thyroid hormone receptor beta 1 ChEMBL. 17524652
Log IC50 (binding) = 7.96 Inhibition of thyroid hormone receptor beta (unknown origin) ChEMBL. 17467994

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

2 literature references were collected for this gene.

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