Detailed information for compound 1106999

Basic information

Technical information
  • TDR Targets ID: 1106999
  • Name: 3-acetyl-6-hydroxychromen-2-one
  • MW: 204.179 | Formula: C11H8O4
  • H donors: 1 H acceptors: 3 LogP: 1.45 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc2c(c1)cc(c(=O)o2)C(=O)C
  • InChi: 1S/C11H8O4/c1-6(12)9-5-7-4-8(13)2-3-10(7)15-11(9)14/h2-5,13H,1H3
  • InChiKey: HXMREWXYWPTCJD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-acetyl-6-hydroxy-chromen-2-one
  • 3-acetyl-6-hydroxy-2-chromenone
  • 3-acetyl-6-hydroxy-coumarin
  • 3-ethanoyl-6-hydroxy-chromen-2-one
  • ZINC02123501

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Brugia malayi Nuclear hormone receptor family member nhr-40 0.002 0.0034 0.0105
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0262 0.3178 1
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.1112 0.3497
Echinococcus granulosus neuropeptide receptor A26 0.047 0.5866 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1539 0.7672
Loa Loa (eye worm) hypothetical protein 0.0026 0.0121 0.028
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0068 0.0108
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0048 0.0396 0.0621
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0048 0.0396 0.0363
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0078 0.0788 1
Brugia malayi Cytochrome P450 family protein 0.0051 0.0438 0.1379
Schistosoma mansoni hypothetical protein 0.0103 0.1112 0.5496
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0121 0.5
Brugia malayi Cytochrome P450 family protein 0.0022 0.0068 0.0213
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0068 0.0108
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.1446 0.4491
Schistosoma mansoni hypothetical protein 0.0171 0.1995 1
Schistosoma mansoni inositol monophosphatase 0.0078 0.0788 0.3845
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0078 0.0788 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0078 0.0788 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.0438 0.1287
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0121 0.0748
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.3178 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0034 0.0105
Loa Loa (eye worm) hypothetical protein 0.015 0.1729 0.539
Brugia malayi nuclear receptor NHR-88 0.002 0.0034 0.0105
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0099 0.1063 0.1033
Brugia malayi Steroid receptor seven-up type 2 0.002 0.0034 0.0105
Brugia malayi Inositol-1 0.0078 0.0788 0.2479
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0121 0.0748
Brugia malayi Nuclear hormone receptor family member nhr-41 0.002 0.0034 0.0105
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.1729 0.5439
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.1539 0.151
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0034 0.0105
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0048 0.0396 0.1245
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.002 0.0034 0.0105
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.2009 0.511
Brugia malayi ecdysteroid receptor 0.002 0.0034 0.0105
Echinococcus multilocularis neuropeptide receptor A26 0.047 0.5866 0.5852
Echinococcus granulosus GPCR family 2 0.0048 0.0396 0.0621
Brugia malayi nuclear hormone receptor 0.002 0.0034 0.0105
Loa Loa (eye worm) hypothetical protein 0.0099 0.1063 0.3273
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.2009 0.511
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.1539 0.4841
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0788 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.1539 0.4786
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0099 0.1063 0.3344
Brugia malayi photoreceptor-specific nuclear receptor 0.002 0.0034 0.0105
Loa Loa (eye worm) hypothetical protein 0.0048 0.0396 0.1152
Brugia malayi Nuclear hormone receptor family member nhr-49 0.002 0.0034 0.0105
Leishmania major hypothetical protein, conserved 0.0026 0.0121 0.0748
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.1539 0.258
Brugia malayi Nuclear hormone receptor family member nhr-1 0.002 0.0034 0.0105
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.213 0.5612
Echinococcus multilocularis neuropeptide s receptor 0.047 0.5866 0.5852
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0788 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0121 0.5
Brugia malayi Latrophilin receptor protein 2 0.0048 0.0396 0.1245
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0099 0.1063 0.1765
Schistosoma mansoni hypothetical protein 0.0048 0.0396 0.1846
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.3178 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0099 0.1063 0.5248
Schistosoma mansoni hypothetical protein 0.0079 0.0808 0.3949
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.2009 0.511
Echinococcus multilocularis geminin 0.0171 0.1995 0.1968
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0078 0.0788 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.2009 0.511
Brugia malayi Nuclear hormone receptor family member nhr-19 0.002 0.0034 0.0105
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0048 0.0396 0.0363
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.3178 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.1729 0.539
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.3178 1
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.2009 0.511
Brugia malayi hypothetical protein 0.0026 0.0121 0.0382
Schistosoma mansoni hypothetical protein 0.0048 0.0396 0.1846
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.1539 0.258
Echinococcus multilocularis FTZ F1 alpha 0.0099 0.1063 0.1033
Brugia malayi Cytochrome P450 family protein 0.0022 0.0068 0.0213
Schistosoma mansoni inositol monophosphatase 0.0078 0.0788 0.3845
Brugia malayi Nuclear hormone receptor-like 1 0.002 0.0034 0.0105
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0121 0.5
Loa Loa (eye worm) CYP4Cod1 0.0022 0.0068 0.0108
Trichomonas vaginalis glucosylceramidase, putative 0.0181 0.213 0.5612
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0788 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0099 0.1063 0.3344
Echinococcus granulosus inositol monophosphatase 1 0.0078 0.0788 0.1293
Schistosoma mansoni hypothetical protein 0.0048 0.0396 0.1846
Schistosoma mansoni hypothetical protein 0.0048 0.0396 0.1846
Loa Loa (eye worm) hypothetical protein 0.0103 0.1112 0.3428
Brugia malayi steroid hormone receptor 0.002 0.0034 0.0105
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.1729 0.5439
Echinococcus granulosus FTZ F1 alpha 0.0394 0.4881 0.8311
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1539 0.7672
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.2009 0.511
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.1446 0.4491
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.3178 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.1539 0.7672
Brugia malayi Nuclear hormone receptor family member nhr-31 0.002 0.0034 0.0105
Echinococcus granulosus geminin 0.0171 0.1995 0.3363
Echinococcus multilocularis GPCR, family 2 0.0048 0.0396 0.0363
Schistosoma mansoni hypothetical protein 0.0171 0.1995 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.1539 0.151
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0078 0.0788 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0121 0.0748
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.007 0.0682 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.002 0.0034 0.0105
Loa Loa (eye worm) inositol-1 0.0078 0.0788 0.2398
Echinococcus multilocularis inositol monophosphatase 1 0.0078 0.0788 0.0757
Loa Loa (eye worm) latrophilin receptor protein 2 0.0048 0.0396 0.1152
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.007 0.0682 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0262 0.3178 1
Echinococcus granulosus neuropeptide s receptor 0.047 0.5866 1
Onchocerca volvulus Glucosylceramidase homolog 0.0172 0.2009 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0048 0.0396 0.0621
Brugia malayi MH2 domain containing protein 0.0129 0.1446 0.4549
Brugia malayi Nuclear hormone receptor family member nhr-3 0.002 0.0034 0.0105
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0262 0.3178 1
Trichomonas vaginalis glucosylceramidase, putative 0.0172 0.2009 0.511

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 64.17 uM Inhibition of human recombinant MAO-B expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine after 15 mins by microplate fluorescence assay ChEMBL. 21872365
Inhibition (binding) = 40 % Inhibition of human recombinant MAO-A expressed in baculovirus infected BTI-TN-5B1-4 cells assessed as production of hydrogen peroxide from p-tyramine at 100 uM after 15 mins by microplate fluorescence assay ChEMBL. 21872365

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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