Detailed information for compound 445832

Basic information

Technical information
  • TDR Targets ID: 445832
  • Name: 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-ylph enoxy)phenyl]acetic acid
  • MW: 390.217 | Formula: C19H13Cl2NO4
  • H donors: 2 H acceptors: 4 LogP: 4.37 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)Cc1cc(Cl)c(c(c1)Cl)Oc1ccc(c(c1)c1cccnc1)O
  • InChi: 1S/C19H13Cl2NO4/c20-15-6-11(8-18(24)25)7-16(21)19(15)26-13-3-4-17(23)14(9-13)12-2-1-5-22-10-12/h1-7,9-10,23H,8H2,(H,24,25)
  • InChiKey: BQVSQVFXKGWCRD-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[3,5-dichloro-4-[4-hydroxy-3-(3-pyridyl)phenoxy]phenyl]acetic acid
  • 2-[3,5-dichloro-4-(4-hydroxy-3-pyridin-3-yl-phenoxy)phenyl]ethanoic acid

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

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

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, alpha 451 aa 372 aa 25.3 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Brugia malayi Nuclear hormone receptor-like 1 0.0306 0.3628 0.944
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.1573 1
Brugia malayi Nuclear hormone receptor-like 1 0.0306 0.3628 0.944
Schistosoma mansoni kinase 0.0047 0.0168 0.0827
Schistosoma mansoni thyroid hormone receptor 0.0186 0.2029 1
Trypanosoma cruzi hypothetical protein, conserved 0.0207 0.2308 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0138 0.0879
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0138 0.0682
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0138 0.0682
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0771 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0771 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.0239 0.0659
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.0771 0.2126
Trypanosoma brucei hypothetical protein, conserved 0.0207 0.2308 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0771 1
Schistosoma mansoni thyroid hormone receptor 0.0186 0.2029 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.0771 0.6865
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.0289 0.1426
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.0771 0.0771
Loa Loa (eye worm) hypothetical protein 0.0118 0.1124 0.3097
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.0771 0.3802
Trypanosoma cruzi hypothetical protein, conserved 0.0207 0.2308 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0138 0.0138
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0771 1
Schistosoma mansoni hypothetical protein 0.0152 0.1573 0.7752
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0138 0.0879
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0138 0.0381
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0771 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0138 0.036
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.0771 0.2387
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0289 0.184
Echinococcus multilocularis thyroid hormone receptor alpha 0.0186 0.2029 0.2029
Brugia malayi hypothetical protein 0.0118 0.1124 0.2924
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.0771 0.5
Loa Loa (eye worm) hypothetical protein 0.0304 0.3602 0.9929
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.0289 0.5
Giardia lamblia Kinase, PLK 0.0092 0.0771 0.5
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.0771 0.2007
Onchocerca volvulus Huntingtin homolog 0.0118 0.1124 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0771 1
Brugia malayi Nuclear hormone receptor-like 1 0.0322 0.3843 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0289 0.5
Onchocerca volvulus Huntingtin homolog 0.0118 0.1124 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0138 0.0682
Leishmania major hypothetical protein, conserved 0.0207 0.2308 1
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0306 0.3628 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0289 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0138 0.0138
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.0771 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0289 0.0289
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0289 0.0753
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.1573 0.1573
Loa Loa (eye worm) hypothetical protein 0.0118 0.1124 0.3097
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.0771 0.4904

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 6.09 Inhibition of thyroid hormone receptor alpha (unknown origin) ChEMBL. 17467994
IC50 (binding) = 7.39 Inhibition of human thyroid hormone receptor beta 1 ChEMBL. 17524652
IC50 (binding) = 7.39 Inhibition of thyroid hormone receptor beta (unknown origin) ChEMBL. 17467994
Log IC50 (binding) = 6.09 Inhibition of thyroid hormone receptor alpha (unknown origin) ChEMBL. 17467994
Log IC50 (binding) = 7.39 Inhibition of human thyroid hormone receptor beta 1 ChEMBL. 17524652
Log IC50 (binding) = 7.39 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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