Detailed information for compound 554890

Basic information

Technical information
  • TDR Targets ID: 554890
  • Name: 2-[(4-hydroxyphenyl)methyl]phenol
  • MW: 200.233 | Formula: C13H12O2
  • H donors: 2 H acceptors: 2 LogP: 3.13 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)Cc1ccccc1O
  • InChi: 1S/C13H12O2/c14-12-7-5-10(6-8-12)9-11-3-1-2-4-13(11)15/h1-8,14-15H,9H2
  • InChiKey: LVLNPXCISNPHLE-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(4-hydroxybenzyl)phenol
  • 2,4'-bisphenol F
  • 2467-03-0
  • EINECS 219-579-8
  • NSC 36395
  • Phenol, 2,4'-methylenedi- (8CI)
  • Phenol, 2-((4-hydroxyphenyl)methyl)-
  • o-((4-Hydroxyphenyl)methyl)phenol
  • (2-Hydroxyphenyl)(4-hydroxyphenyl)methane
  • 2,4'-Dihydroxydiphenylmethane
  • 2,4'-Methylenebis(phenol)
  • 2,4'-Methylenediphenol
  • NSC36395
  • Phenol, 2,4'-methylenedi-
  • Phenol, 2-[(4-hydroxyphenyl)methyl]-
  • o-(p-Hydroxybenzyl)phenol
  • ZINC00162390
  • CCRIS 8451

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens androgen receptor Starlite/ChEMBL No 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
No druggable targets predicted by sequence similarity

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Echinococcus multilocularis Fatty acid desaturase, type 1 0.0015 0.0336 1
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0015 0.0336 1
Plasmodium falciparum stearoyl-CoA desaturase 0.0172 0.9149 0.5
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0015 0.0336 0.5
Brugia malayi Fatty acid desaturase family protein 0.0015 0.0336 0.0367
Mycobacterium ulcerans hypothetical protein 0.0015 0.0336 0.5
Loa Loa (eye worm) fatty acid desaturase 0.0015 0.0336 0.0367
Brugia malayi Delta5 fatty acid desaturase 0.0015 0.0336 0.0367
Loa Loa (eye worm) fatty acid desaturase 0.0015 0.0336 0.0367
Mycobacterium tuberculosis Probable conserved membrane protein 0.0015 0.0336 0.5
Echinococcus granulosus Fatty acid desaturase type 1 0.0015 0.0336 1
Brugia malayi Fatty acid desaturase family protein 0.0015 0.0336 0.0367
Trypanosoma cruzi fatty acid desaturase, putative 0.0172 0.9149 0.9119
Echinococcus multilocularis Peptidase M, neutral zinc metallopeptidases, zinc binding site 0.0015 0.0336 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0336 0.0367
Trypanosoma cruzi fatty acid desaturase, putative 0.0187 1 1
Trypanosoma cruzi fatty acid desaturase, putative 0.0172 0.9149 0.9119
Mycobacterium ulcerans electron transfer protein FdxB 0.0015 0.0336 0.5
Mycobacterium tuberculosis Possible electron transfer protein FdxB 0.0015 0.0336 0.5
Onchocerca volvulus 0.0187 1 1
Echinococcus granulosus Sphingolipid delta4 desaturase DES1 0.0015 0.0336 1
Loa Loa (eye worm) FAT-3 protein 0.0015 0.0336 0.0367
Mycobacterium ulcerans transmembrane alkane 1-monooxygenase AlkB 0.0015 0.0336 0.5
Trypanosoma brucei fatty acid desaturase, putative 0.0187 1 1
Toxoplasma gondii sphingolipid delta 4 desaturase/c-4 hydroxylase protein des2 family protein 0.0015 0.0336 0.5
Mycobacterium tuberculosis Probable transmembrane alkane 1-monooxygenase AlkB (alkane 1-hydroxylase) (lauric acid omega-hydroxylase) (omega-hydroxylase) (f 0.0015 0.0336 0.5
Onchocerca volvulus 0.0015 0.0336 0.0336
Onchocerca volvulus 0.0187 1 1
Plasmodium vivax stearoyl-CoA desaturase (acyl-CoA desaturase, faty acid desaturase), putative 0.0172 0.9149 0.5
Leishmania major fatty-acid desaturase, putative 0.0187 1 1
Loa Loa (eye worm) acyl-CoA desaturase 0.0172 0.9149 1
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3 0.0015 0.0336 0.5
Brugia malayi acyl-CoA desaturase 0.0172 0.9149 1
Mycobacterium ulcerans hypothetical protein 0.0015 0.0336 0.5
Mycobacterium ulcerans linoleoyl-CoA desaturase, DesA3_2 0.0015 0.0336 0.5
Schistosoma mansoni fatty acid desaturase 0.0015 0.0336 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.8185 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 15.4864 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.7421 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 24.6338 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 30.6379 uM PubChem BioAssay: Tox21. qHTS assay for small molecule agonists of the antioxidant response element (ARE) signaling pathway. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 61.8773 uM PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) ChEMBL. No reference

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

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.