Detailed information for compound 1349009

Basic information

Technical information
  • TDR Targets ID: 1349009
  • Name: 2-(2-Hydroxy-2-phenylethoxy)phenol
  • MW: 230.259 | Formula: C14H14O3
  • H donors: 2 H acceptors: 2 LogP: 2.38 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(c1ccccc1)COc1ccccc1O
  • InChi: 1S/C14H14O3/c15-12-8-4-5-9-14(12)17-10-13(16)11-6-2-1-3-7-11/h1-9,13,15-16H,10H2
  • InChiKey: GPCWYPVIFBLEET-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-(2-hydroxy-2-phenyl-ethoxy)phenol
  • Enamine_005840
  • 2-(2-Hydroxyphenoxy)-1-phenylethanol
  • IDI1_008075
  • T0503-7369
  • Oprea1_726018

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Toxoplasma gondii exonuclease III APE 0.0023 0 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.1781 1 1
Onchocerca volvulus 0.0301 0.1582 0.5
Echinococcus granulosus carboxylesterase 5A 0.1781 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0301 0.1582 0.9053
Loa Loa (eye worm) hypothetical protein 0.0301 0.1582 0.1582
Echinococcus granulosus neuroligin 0.0301 0.1582 0.1582
Onchocerca volvulus 0.0301 0.1582 0.5
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0301 0.1582 0.1582
Echinococcus multilocularis acetylcholinesterase 0.1781 1 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0301 0.1582 0.1582
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0301 0.1582 1
Echinococcus granulosus para nitrobenzyl esterase 0.0301 0.1582 0.1582
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.1781 1 1
Loa Loa (eye worm) glutaminase 2 0.033 0.1748 0.1748
Brugia malayi glutaminase DH11.1 0.033 0.1748 0.1748
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0172 0.0172
Brugia malayi Carboxylesterase family protein 0.0301 0.1582 0.1582
Echinococcus multilocularis BC026374 protein (S09 family) 0.0301 0.1582 0.1582
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0 0.5
Loa Loa (eye worm) glutaminase 0.033 0.1748 0.1748
Trichomonas vaginalis spcc417.12 protein, putative 0.0301 0.1582 0.9053
Loa Loa (eye worm) carboxylesterase 0.0301 0.1582 0.1582
Schistosoma mansoni BC026374 protein (S09 family) 0.0301 0.1582 0.1582
Loa Loa (eye worm) hypothetical protein 0.0301 0.1582 0.1582
Loa Loa (eye worm) hypothetical protein 0.1781 1 1
Loa Loa (eye worm) hypothetical protein 0.0301 0.1582 0.1582
Echinococcus multilocularis carboxylesterase 5A 0.1781 1 1
Trichomonas vaginalis glutaminase, putative 0.033 0.1748 1
Onchocerca volvulus 0.0301 0.1582 0.5
Brugia malayi hypothetical protein 0.0301 0.1582 0.1582
Schistosoma mansoni acetylcholinesterase 0.0301 0.1582 0.1582
Loa Loa (eye worm) hypothetical protein 0.0301 0.1582 0.1582
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0172 0.0172
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0939 0.5211 0.5211
Schistosoma mansoni glutaminase 0.033 0.1748 0.1748
Onchocerca volvulus 0.0301 0.1582 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0301 0.1582 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0172 0.0172
Loa Loa (eye worm) carboxylesterase 0.1781 1 1
Echinococcus multilocularis acetylcholinesterase 0.1781 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0172 0.0172
Echinococcus multilocularis neuroligin 0.0301 0.1582 0.1582
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0301 0.1582 0.1582
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0172 0.0172
Onchocerca volvulus 0.0301 0.1582 0.5
Schistosoma mansoni gliotactin 0.0301 0.1582 0.1582
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0 0.5
Schistosoma mansoni neuroligin 3 (S09 family) 0.0301 0.1582 0.1582
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0172 0.0172
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0 0.5
Brugia malayi Carboxylesterase family protein 0.0301 0.1582 0.1582
Brugia malayi Carboxylesterase family protein 0.1781 1 1
Echinococcus granulosus acetylcholinesterase 0.1781 1 1
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0301 0.1582 0.1582
Brugia malayi Carboxylesterase family protein 0.0301 0.1582 0.1582
Echinococcus granulosus acetylcholinesterase 0.1781 1 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0301 0.1582 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0172 0.0172
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0301 0.1582 0.1582
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0301 0.1582 0.1582
Echinococcus multilocularis para nitrobenzyl esterase 0.0301 0.1582 0.1582
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0172 0.0172
Loa Loa (eye worm) hypothetical protein 0.0301 0.1582 0.1582
Mycobacterium ulcerans carboxylesterase, LipT 0.0301 0.1582 0.9053
Brugia malayi Carboxylesterase family protein 0.0301 0.1582 0.1582
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0 0.5
Mycobacterium ulcerans glutaminase 0.033 0.1748 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0301 0.1582 0.1582
Loa Loa (eye worm) carboxylesterase 0.0301 0.1582 0.1582
Echinococcus granulosus BC026374 protein S09 family 0.0301 0.1582 0.1582
Loa Loa (eye worm) hypothetical protein 0.1781 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.8876 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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