Detailed information for compound 337248

Basic information

Technical information
  • TDR Targets ID: 337248
  • Name: 6-phenylnaphthalen-2-ol
  • MW: 220.266 | Formula: C16H12O
  • H donors: 1 H acceptors: 1 LogP: 4.44 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)ccc(c2)c1ccccc1
  • InChi: 1S/C16H12O/c17-16-9-8-14-10-13(6-7-15(14)11-16)12-4-2-1-3-5-12/h1-11,17H
  • InChiKey: PZOXFBPKKGTQDZ-UHFFFAOYSA-N  

Network

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Synonyms

  • 6-phenyl-2-naphthalenol
  • 6-phenyl-2-naphthol

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens estrogen receptor 1 Starlite/ChEMBL References
Homo sapiens estrogen receptor 2 (ER beta) 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
Loa Loa (eye worm) hypothetical protein estrogen receptor 2 (ER beta) 495 aa 418 aa 25.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0021 0.0655 0.1483
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0204 0.0461
Loa Loa (eye worm) DR-78 0.0019 0.0204 0.0461
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 1 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.4418 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.004 0.4418 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.4418 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.004 0.4418 1
Onchocerca volvulus 0.0019 0.0204 0.0461
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.004 0.4418 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.004 0.4418 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0204 0.0461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.004 0.4418 1
Schistosoma mansoni retinoic acid receptor RXR 0.004 0.4418 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 1 0.5
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0019 0.0204 0.0461
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.7098 0.7098
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 1 0.5
Brugia malayi ecdysone receptor 0.0019 0.0204 0.0461
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 1 0.5
Schistosoma mansoni nuclear receptor 0.0019 0.0204 0.0461
Onchocerca volvulus Protein ultraspiracle homolog 0.004 0.4418 1
Trypanosoma cruzi cruzipain precursor, putative 0.0068 1 1
Brugia malayi nuclear hormone receptor family member nhr-6 0.0019 0.0204 0.0461
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.4418 1
Onchocerca volvulus 0.0019 0.0204 0.0461
Onchocerca volvulus 0.004 0.4418 1
Plasmodium vivax vivapain-2 0.0018 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-31 0.004 0.4418 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0655 0.1483
Echinococcus granulosus Nuclear hormone receptor HR96 0.0019 0.0204 0.0461
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.004 0.4418 1
Schistosoma mansoni thyroid hormone receptor 0.004 0.4418 1
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.4418 1
Schistosoma mansoni nuclear receptor nhr-48 0.0019 0.0204 0.0461
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.4418 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.004 0.4418 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0 0.5
Toxoplasma gondii cathepsin CPL 0.0018 0 0.5
Brugia malayi Nuclear hormone receptor E75 0.0019 0.0204 0.0461
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.004 0.4418 1
Brugia malayi hypothetical protein 0.0019 0.0204 0.0461
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.004 0.4418 1
Brugia malayi orphan nuclear receptor NR2E1 0.0019 0.0204 0.0461
Schistosoma mansoni Tr4/Tr2 (homologue) 0.004 0.4418 1
Echinococcus granulosus nuclear receptor nhr 48 0.0019 0.0204 0.0461
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0 0.5
Leishmania major cathepsin L-like protease 0.0068 1 1
Schistosoma mansoni nuclear hormone receptor 0.0019 0.0204 0.0461
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0 0.5
Echinococcus multilocularis nuclear receptor nhr 48 0.0019 0.0204 0.0461
Trypanosoma cruzi cysteine peptidase, putative 0.0068 1 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0021 0.0655 0.1483
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.004 0.4418 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.4418 1
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0655 0.1483
Echinococcus multilocularis FTZ F1 alpha 0.004 0.4418 1
Schistosoma mansoni nuclear receptor 0.0019 0.0204 0.0461
Loa Loa (eye worm) hypothetical protein 0.004 0.4418 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 1 0.5
Plasmodium vivax vivapain-2 0.0018 0 0.5
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0019 0.0204 0.0461
Entamoeba histolytica cysteine proteinase, putative 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.4418 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0204 0.0461
Brugia malayi Nuclear hormone receptor family member nhr-1 0.004 0.4418 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0204 0.0461
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.4418 1
Leishmania major cathepsin L-like protease 0.0068 1 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.4418 1
Brugia malayi Nuclear hormone receptor E75 0.0019 0.0204 0.0461
Brugia malayi nuclear receptor NHR-88 0.0019 0.0204 0.0461
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.4418 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 1 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.004 0.4418 1
Brugia malayi ecdysteroid receptor 0.004 0.4418 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0 0.5
Echinococcus granulosus FTZ F1 alpha 0.004 0.4418 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0 0.5
Brugia malayi nuclear receptor RXR 0.0021 0.0655 0.1483
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 1 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.004 0.4418 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0204 0.0461
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.004 0.4418 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 1 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Entamoeba histolytica cysteine protease, putative 0.0018 0 0.5
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0062 0.8824 0.8824
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0 0.5
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0019 0.0204 0.0461
Schistosoma mansoni RAR-like nuclear receptor 0.004 0.4418 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0019 0.0204 0.0461
Brugia malayi Nuclear hormone receptor family member nhr-40 0.004 0.4418 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0655 0.1483
Brugia malayi hypothetical protein 0.0021 0.0655 0.1483
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.004 0.4418 1
Brugia malayi photoreceptor-specific nuclear receptor 0.004 0.4418 1
Schistosoma mansoni nuclear hormone receptor 0.0019 0.0204 0.0461
Echinococcus granulosus Nuclear hormone receptor HR96 0.0019 0.0204 0.0461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.4418 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.004 0.4418 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Loa Loa (eye worm) steroid hormone receptor 0.004 0.4418 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.4418 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0019 0.0204 0.0461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0204 0.0461
Brugia malayi tailless protein 0.0019 0.0204 0.0461
Trypanosoma cruzi cysteine peptidase, putative 0.0068 1 1
Brugia malayi nuclear hormone receptor 0.0019 0.0204 0.0461
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0021 0.0655 0.1483
Echinococcus granulosus retinoic acid receptor rxr beta a 0.004 0.4418 1
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0019 0.0204 0.0461
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.004 0.4418 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0655 0.1483
Loa Loa (eye worm) hypothetical protein 0.004 0.4418 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0019 0.0204 0.0461
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0021 0.0655 0.1483
Brugia malayi Steroid receptor seven-up type 2 0.004 0.4418 1
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0019 0.0204 0.0461
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0021 0.0655 0.1483
Loa Loa (eye worm) hypothetical protein 0.004 0.4418 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0204 0.0461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Onchocerca volvulus Bile acid receptor homolog 0.004 0.4418 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0204 0.0461
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.004 0.4418 1
Brugia malayi hypothetical protein 0.0021 0.0655 0.1483
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.004 0.4418 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.004 0.4418 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.4418 1
Brugia malayi nuclear hormone receptor 0.004 0.4418 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0655 0.1483
Echinococcus granulosus ecdysone induced protein 78C 0.004 0.4418 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0019 0.0204 0.0461
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.4418 1
Loa Loa (eye worm) nuclear hormone receptor 0.0019 0.0204 0.0461
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.004 0.4418 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0204 0.0461
Loa Loa (eye worm) hypothetical protein 0.0019 0.0204 0.0461
Brugia malayi conserved hypotetical protein 0.0019 0.0204 0.0461
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.4418 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0019 0.0204 0.0461
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.004 0.4418 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0 0.5
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.004 0.4418 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0019 0.0204 0.0461
Loa Loa (eye worm) hypothetical protein 0.0019 0.0204 0.0461
Brugia malayi steroid hormone receptor 0.004 0.4418 1
Brugia malayi nuclear receptor RXR 0.0019 0.0204 0.0461
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0655 0.1483
Loa Loa (eye worm) nuclear receptor NHR-67 0.0019 0.0204 0.0461
Schistosoma mansoni nuclear hormone receptor 0.004 0.4418 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0019 0.0204 0.0461
Brugia malayi Nuclear hormone receptor family member nhr-41 0.004 0.4418 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.004 0.4418 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.004 0.4418 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.4418 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 1 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0204 0.0461
Loa Loa (eye worm) hypothetical protein 0.0019 0.0204 0.0461
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0 0.5
Brugia malayi hypothetical protein 0.0019 0.0204 0.0461
Loa Loa (eye worm) hypothetical protein 0.004 0.4418 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0204 0.0461
Echinococcus multilocularis ecdysone induced protein 78C 0.004 0.4418 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.004 0.4418 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0204 0.0461
Echinococcus granulosus thyroid hormone receptor alpha 0.0019 0.0204 0.0461
Brugia malayi Nuclear hormone receptor family member nhr-49 0.004 0.4418 1
Schistosoma mansoni zinc finger protein 0.0019 0.0204 0.0461
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0 0.5
Brugia malayi nuclear receptor NHR-67 0.0019 0.0204 0.0461
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Entamoeba histolytica cysteine proteinase, putative 0.0018 0 0.5
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0 0.5
Trypanosoma cruzi cysteine peptidase, putative 0.0068 1 1
Schistosoma mansoni coup transcription factor 0.004 0.4418 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0655 0.1483
Brugia malayi nuclear receptor NHR-88 0.004 0.4418 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 374 nM Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor beta expressed in Escherichia coli ChEMBL. 15943471
IC50 (binding) = 374 nM Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor beta expressed in Escherichia coli ChEMBL. 15943471
IC50 (binding) = 1345 nM Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha expressed in Escherichia coli ChEMBL. 15943471
IC50 (binding) = 1345 nM Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha expressed in Escherichia coli ChEMBL. 15943471
Inhibition (binding) < 10 % Inhibition of human recombinant 17beta-HSD1 expressed in Sf9 insect cells at 100 nM ChEMBL. 18324762
Inhibition (binding) < 10 % Inhibition of human recombinant 17beta-HSD1 expressed in Sf9 insect cells at 1 uM ChEMBL. 18324762
Inhibition (binding) < 10 % Inhibition of human recombinant 17beta-HSD1 expressed in Sf9 insect cells at 100 nM ChEMBL. 18324762
Inhibition (binding) < 10 % Inhibition of human recombinant 17beta-HSD1 expressed in Sf9 insect cells at 1 uM ChEMBL. 18324762
Inhibition (binding) = 17 % Inhibition of [3H]E2 binding to human placental 17beta-HSD2 at 1 uM after 20 mins ChEMBL. 21211981
Inhibition (binding) = 44 % Inhibition of [3H]E1 binding to human placental 17beta-HSD1 at 1 uM after 20 mins ChEMBL. 21211981
Ratio (binding) = 4 Relative inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha and beta expressed in Escherichia coli ChEMBL. 15943471
Ratio (binding) = 4 Relative inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor alpha and beta expressed in Escherichia coli ChEMBL. 15943471

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

3 literature references were collected for this gene.

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