Detailed information for compound 1327505

Basic information

Technical information
  • TDR Targets ID: 1327505
  • Name: 1-(3-methoxyphenyl)-2-(2-phenylphenoxy)ethano ne
  • MW: 318.366 | Formula: C21H18O3
  • H donors: 0 H acceptors: 1 LogP: 4.9 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)C(=O)COc1ccccc1c1ccccc1
  • InChi: 1S/C21H18O3/c1-23-18-11-7-10-17(14-18)20(22)15-24-21-13-6-5-12-19(21)16-8-3-2-4-9-16/h2-14H,15H2,1H3
  • InChiKey: UWPKMSMHYYLLOU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • ZINC00475338
  • 2-(2-biphenylyloxy)-1-(3-methoxyphenyl)ethanone
  • MLS000578580
  • SMR000197766
  • AK-918/41424323
  • STK275256

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0433 0.0432
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0068 0.0398 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0068 0.0398 0.0396
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0068 0.0398 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0344 0.2995 0.3049
Loa Loa (eye worm) hypothetical protein 0.0052 0.0239 0.0239
Loa Loa (eye worm) TAR-binding protein 0.1066 0.9803 0.9803
Brugia malayi Latrophilin receptor protein 2 0.0344 0.2995 0.2995
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0068 0.0398 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0217 0.0217
Schistosoma mansoni hypothetical protein 0.0743 0.6758 0.6891
Loa Loa (eye worm) hypothetical protein 0.0085 0.0558 0.0558
Echinococcus granulosus tar DNA binding protein 0.1066 0.9803 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0068 0.0398 0.0398
Schistosoma mansoni tar DNA-binding protein 0.1066 0.9803 1
Echinococcus multilocularis tar DNA binding protein 0.1066 0.9803 1
Brugia malayi latrophilin 2 splice variant baaae 0.0743 0.6758 0.6758
Toxoplasma gondii isocitrate dehydrogenase 0.0068 0.0398 1
Brugia malayi PHD-finger family protein 0.003 0.0037 0.0037
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0162 0.0156
Echinococcus multilocularis GPCR, family 2 0.0344 0.2995 0.3049
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0162 0.0156
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0344 0.2995 0.3049
Loa Loa (eye worm) hypothetical protein 0.0306 0.2638 0.2638
Loa Loa (eye worm) hypothetical protein 0.0046 0.019 0.019
Brugia malayi Isocitrate dehydrogenase 0.0068 0.0398 0.0398
Schistosoma mansoni hypothetical protein 0.0344 0.2995 0.3049
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0068 0.0398 0.0396
Brugia malayi RNA recognition motif domain containing protein 0.1066 0.9803 0.9803
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0344 0.2995 0.3049
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0068 0.0398 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0344 0.2995 0.2995
Schistosoma mansoni hypothetical protein 0.0205 0.1682 0.1707
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0433 0.0432
Schistosoma mansoni tar DNA-binding protein 0.1066 0.9803 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0068 0.0398 0.0396
Schistosoma mansoni bromodomain containing protein 0.0076 0.0474 0.0473
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0068 0.0398 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0068 0.0398 0.0396
Loa Loa (eye worm) hypothetical protein 0.0344 0.2995 0.2995
Loa Loa (eye worm) RNA binding protein 0.1066 0.9803 0.9803
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0068 0.0398 1
Schistosoma mansoni tar DNA-binding protein 0.1066 0.9803 1
Brugia malayi RNA binding protein 0.1066 0.9803 0.9803
Echinococcus granulosus geminin 0.0205 0.1682 0.1707
Onchocerca volvulus 0.0306 0.2638 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.036 0.3145 0.3145
Brugia malayi isocitrate dehydrogenase 0.0068 0.0398 0.0398
Brugia malayi Bromodomain containing protein 0.0091 0.0607 0.0607
Brugia malayi hypothetical protein 0.0306 0.2638 0.2638
Brugia malayi Calcitonin receptor-like protein seb-1 0.1087 1 1
Schistosoma mansoni tar DNA-binding protein 0.1066 0.9803 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0068 0.0398 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1087 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.1682 0.1707
Schistosoma mansoni tar DNA-binding protein 0.1066 0.9803 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0068 0.0398 0.0396
Loa Loa (eye worm) MH2 domain-containing protein 0.036 0.3145 0.3145
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0344 0.2995 0.2995
Schistosoma mansoni hypothetical protein 0.0344 0.2995 0.3049
Brugia malayi Bromodomain containing protein 0.0046 0.0189 0.0189
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0068 0.0398 0.0396
Loa Loa (eye worm) hypothetical protein 0.1087 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0068 0.0398 1
Echinococcus granulosus GPCR family 2 0.0344 0.2995 0.3049
Brugia malayi MH2 domain containing protein 0.036 0.3145 0.3145
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0068 0.0398 0.0396
Toxoplasma gondii isocitrate dehydrogenase 0.0068 0.0398 1
Loa Loa (eye worm) hypothetical protein 0.0743 0.6758 0.6758
Brugia malayi TAR-binding protein 0.1066 0.9803 0.9803
Schistosoma mansoni hypothetical protein 0.0344 0.2995 0.3049
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0344 0.2995 0.3049
Schistosoma mansoni hypothetical protein 0.0344 0.2995 0.3049
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.1066 0.9803 0.9803
Echinococcus multilocularis geminin 0.0205 0.1682 0.1707

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (binding) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
Plasmodium falciparum ChEMBL23

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.

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