Detailed information for compound 1422011

Basic information

Technical information
  • TDR Targets ID: 1422011
  • Name: 6-hydroxy-7,8-dimethoxy-4-phenylchromen-2-one
  • MW: 298.29 | Formula: C17H14O5
  • H donors: 1 H acceptors: 2 LogP: 2.67 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1c(OC)c(O)cc2c1oc(=O)cc2c1ccccc1
  • InChi: 1S/C17H14O5/c1-20-16-13(18)8-12-11(10-6-4-3-5-7-10)9-14(19)22-15(12)17(16)21-2/h3-9,18H,1-2H3
  • InChiKey: ABUBCBFUQXIEAU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-hydroxy-7,8-dimethoxy-4-phenyl-chromen-2-one
  • 6-hydroxy-7,8-dimethoxy-4-phenyl-2-chromenone
  • 6-hydroxy-7,8-dimethoxy-4-phenyl-coumarin
  • KBio2_001040
  • KBio2_003608
  • SPECTRUM240862
  • KBio2_006176
  • Spectrum3_001261
  • KBioSS_001040
  • KBio3_002322
  • SpecPlus_000638
  • SDCCGMLS-0066486.P001
  • Spectrum4_001594
  • KBio1_001678
  • BSPBio_002822
  • Spectrum5_000308
  • Spectrum_000560
  • Spectrum2_001992
  • NCGC00095925-01
  • KBioGR_002208
  • SPBio_002203
  • DivK1c_006734

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Mus musculus RAR-related orphan receptor gamma 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
Loa Loa (eye worm) hypothetical protein 0.0012 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0355 1 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0122 0.0363
Loa Loa (eye worm) hypothetical protein 0.0012 0.0122 0.0122
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0018 0.0027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0122 0.0122
Brugia malayi nuclear receptor NHR-88 0.0012 0.0122 0.0122
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0213 0.0634
Loa Loa (eye worm) RNA binding protein 0.0125 0.3363 0.3363
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0018 0.0053
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.1237 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0122 0.0363
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0122 0.0363
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0122 0.0363
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0018 0.0018
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0112 0.3007 0.3007
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0122 0.0363
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0213 0.0634
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0122 0.0363
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0213 0.0213
Brugia malayi ecdysteroid receptor 0.0012 0.0122 0.0122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0122 0.0122
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0122 0.0122
Brugia malayi RNA binding protein 0.0125 0.3363 0.3363
Loa Loa (eye worm) latrophilin receptor protein 2 0.0112 0.3007 0.3007
Loa Loa (eye worm) hypothetical protein 0.0243 0.6763 0.6763
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0112 0.3007 0.8943
Loa Loa (eye worm) hypothetical protein 0.0009 0.0018 0.0018
Echinococcus multilocularis tar DNA binding protein 0.0125 0.3363 1
Toxoplasma gondii LsmAD domain-containing protein 0.0051 0.1237 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0122 0.0363
Echinococcus granulosus GPCR family 2 0.0112 0.3007 0.8943
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0018 0.0053
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0018 0.0027
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0122 0.0122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0122 0.0122
Brugia malayi steroid hormone receptor 0.0012 0.0122 0.0122
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0428 0.1274
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0213 0.0634
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0122 0.0218
Brugia malayi latrophilin 2 splice variant baaae 0.0243 0.6763 0.6763
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0122 0.0363
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0018 0.0053
Brugia malayi TAR-binding protein 0.0125 0.3363 0.3363
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0018 0.0053
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0112 0.3007 0.8943
Brugia malayi RNA recognition motif domain containing protein 0.0125 0.3363 0.3363
Schistosoma mansoni dishevelled 0.0009 0.0018 0.0027
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0122 0.018
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0122 0.0363
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.314 0.314
Schistosoma mansoni dishevelled 0.0009 0.0018 0.0027
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.314 0.314
Brugia malayi Latrophilin receptor protein 2 0.0112 0.3007 0.3007
Echinococcus granulosus tar DNA binding protein 0.0125 0.3363 1
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0122 0.0122
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0355 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0122 0.0122
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0122 0.0122
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0018 0.0053
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0122 0.018
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0122 0.0122
Leishmania major hypothetical protein, conserved 0.0051 0.1237 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0122 0.0122
Schistosoma mansoni tar DNA-binding protein 0.0125 0.3363 0.4972
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0122 0.0363
Schistosoma mansoni hypothetical protein 0.0112 0.3007 0.4446
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0018 0.0018
Schistosoma mansoni hypothetical protein 0.0112 0.3007 0.4446
Brugia malayi nuclear hormone receptor 0.0012 0.0122 0.0122
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0122 0.018
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0213 0.1602
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0122 0.0122
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0015 0.0213 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0122 0.018
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0122 0.018
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0122 0.018
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0122 0.0122
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0018 0.0053
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0122 0.0122
Schistosoma mansoni hypothetical protein 0.0112 0.3007 0.4446
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0122 0.0122
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0112 0.3007 0.8943
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0122 0.018
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0122 0.0218
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0122 0.0363
Loa Loa (eye worm) hypothetical protein 0.0012 0.0122 0.0122
Brugia malayi N-terminal motif family protein 0.0175 0.4799 0.4799
Loa Loa (eye worm) hypothetical protein 0.0012 0.0122 0.0122
Echinococcus multilocularis GPCR, family 2 0.0112 0.3007 0.8943
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0213 0.0634
Loa Loa (eye worm) hypothetical protein 0.0009 0.0018 0.0018
Schistosoma mansoni tar DNA-binding protein 0.0125 0.3363 0.4972
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0122 0.0122
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0122 0.018
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0125 0.3363 0.3363
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0122 0.0122
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0122 0.0218
Brugia malayi hypothetical protein 0.0051 0.1237 0.1237
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0122 0.0122
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0018 0.0027
Schistosoma mansoni hypothetical protein 0.0023 0.0428 0.0633
Brugia malayi MH2 domain containing protein 0.0117 0.314 0.314
Loa Loa (eye worm) hypothetical protein 0.0112 0.3007 0.3007
Loa Loa (eye worm) hypothetical protein 0.0012 0.0122 0.0122
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0122 0.0363
Schistosoma mansoni tar DNA-binding protein 0.0125 0.3363 0.4972
Schistosoma mansoni coup transcription factor 0.0012 0.0122 0.018
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0122 0.018
Schistosoma mansoni tar DNA-binding protein 0.0125 0.3363 0.4972
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0018 0.0053
Trypanosoma brucei PAB1-binding protein , putative 0.0051 0.1237 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0018 0.0053
Toxoplasma gondii isocitrate dehydrogenase 0.0015 0.0213 0.1602
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0018 0.0018
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0122 0.0363
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.1237 1
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0018 0.0053
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0213 0.0213
Brugia malayi Calcitonin receptor-like protein seb-1 0.0355 1 1
Schistosoma mansoni tar DNA-binding protein 0.0125 0.3363 0.4972
Loa Loa (eye worm) hypothetical protein 0.0175 0.4799 0.4799
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0213 0.0634
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0213 0.0315
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0428 0.1274
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0122 0.0363
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0122 0.018
Schistosoma mansoni dep domain containing protein 0.0009 0.0018 0.0027
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0112 0.3007 0.8943
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0122 0.0122
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0122 0.0122
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0051 0.1237 0.1237
Brugia malayi DIX domain containing protein 0.0009 0.0018 0.0018
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0122 0.0363
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0213 0.0634
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0122 0.0122
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0018 0.0018
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0122 0.0122
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0122 0.0122
Brugia malayi hypothetical protein 0.0009 0.0018 0.0018
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0018 0.0053
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0122 0.018
Echinococcus granulosus FTZ F1 alpha 0.0012 0.0122 0.0363
Brugia malayi hypothetical protein 0.0009 0.0018 0.0018
Brugia malayi hypothetical protein 0.0033 0.0717 0.0717
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0122 0.0363
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0009 0.0018 0.0018
Schistosoma mansoni hypothetical protein 0.0112 0.3007 0.4446
Onchocerca volvulus 0.0012 0.0122 0.0218
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.4799 1
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0122 0.0363
Loa Loa (eye worm) TAR-binding protein 0.0125 0.3363 0.3363
Trypanosoma cruzi PAB1-binding protein , putative 0.0051 0.1237 1
Schistosoma mansoni hypothetical protein 0.0243 0.6763 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0051 0.1237 1
Brugia malayi isocitrate dehydrogenase 0.0015 0.0213 0.0213
Loa Loa (eye worm) hypothetical protein 0.0012 0.0122 0.0122
Plasmodium vivax ataxin-2 like protein, putative 0.0051 0.1237 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.0122 0.0122
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0122 0.018
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0122 0.0122
Loa Loa (eye worm) hypothetical protein 0.0012 0.0122 0.0122

Activities

Activity type Activity value Assay description Source Reference
Inhibition (ADMET) = 118.4195296 % Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Inhibition (ADMET) = 128.1541112 % Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM ChEMBL. 23571415
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (ADMET) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] ChEMBL. No reference
Potency (ADMET) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] 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

1 literature reference was collected for this gene.

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