Detailed information for compound 229093

Basic information

Technical information
  • TDR Targets ID: 229093
  • Name: 3-imidazol-1-yl-7-methoxy-2-methyl-2,3-dihydr ochromen-4-one
  • MW: 258.273 | Formula: C14H14N2O3
  • H donors: 0 H acceptors: 2 LogP: 1.8 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)OC(C(C2=O)n1cncc1)C
  • InChi: 1S/C14H14N2O3/c1-9-13(16-6-5-15-8-16)14(17)11-4-3-10(18-2)7-12(11)19-9/h3-9,13H,1-2H3
  • InChiKey: CJFKUNZCKIDNLW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-imidazol-1-yl-7-methoxy-2-methyl-chroman-4-one
  • 3-(1-imidazolyl)-7-methoxy-2-methyl-3,4-dihydro-2H-1-benzopyran-4-one
  • 3-imidazol-1-yl-7-methoxy-2-methylchroman-4-one
  • 3-(1-imidazolyl)-7-methoxy-2-methyl-4-chromanone

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-1 0.0047 0.0216 0.0509
Onchocerca volvulus 0.0115 0.0826 1
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0025 0.0015 0.0008
Loa Loa (eye worm) hypothetical protein 0.0047 0.0216 0.262
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0047 0.0216 0.262
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0194 0.1533 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0015 0.0179
Onchocerca volvulus Bile acid receptor homolog 0.0047 0.0216 0.0945
Loa Loa (eye worm) hypothetical protein 0.0025 0.0015 0.0179
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0047 0.0216 0.021
Schistosoma mansoni RAR-like nuclear receptor 0.0047 0.0216 0.021
Schistosoma mansoni coup transcription factor 0.0047 0.0216 0.021
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.006 0.033 0.0641
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0047 0.0216 0.1377
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.006 0.033 0.0453
Schistosoma mansoni steroid hormone receptor ad4bp 0.0047 0.0216 0.021
Loa Loa (eye worm) hypothetical protein 0.003 0.0061 0.0736
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0047 0.0216 0.0509
Mycobacterium ulcerans fatty-acid-CoA ligase 0.004 0.0153 0.0219
Echinococcus multilocularis microsomal glutathione S transferase 3 0.0116 0.0831 0.54
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.004 0.0153 0.0023
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0047 0.0216 0.1377
Loa Loa (eye worm) hypothetical protein 0.0025 0.0015 0.0179
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0078 0.0491 0.3175
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0047 0.0216 0.0509
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0047 0.0216 0.0509
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0194 0.1533 0.5
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0047 0.0216 0.0509
Leishmania major dihydroorotate dehydrogenase 0.0496 0.4255 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0047 0.0216 0.021
Brugia malayi MH2 domain containing protein 0.0092 0.0615 0.1445
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0194 0.1533 1
Echinococcus granulosus ecdysone induced protein 78C 0.0047 0.0216 0.1377
Brugia malayi steroid hormone receptor 0.0047 0.0216 0.0509
Loa Loa (eye worm) hypothetical protein 0.0076 0.0476 0.5761
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0047 0.0216 0.0509
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0025 0.0015 0.0056
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0047 0.0216 0.0509
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0047 0.0216 0.021
Loa Loa (eye worm) latrophilin receptor protein 2 0.0024 0.0006 0.0077
Mycobacterium ulcerans acyl-CoA synthetase 0.004 0.0153 0.0219
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.0496 0.4255 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0076 0.0476 0.1119
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0062 0.0346 0.2224
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0047 0.0216 0.1377
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0496 0.4255 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0047 0.0216 0.262
Schistosoma mansoni retinoic acid receptor RXR 0.0047 0.0216 0.021
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0194 0.1533 1
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0194 0.1533 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0153 0.185
Toxoplasma gondii MAPEG family protein 0.0116 0.0831 0.1276
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0496 0.4255 1
Brugia malayi photoreceptor-specific nuclear receptor 0.0047 0.0216 0.0509
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.004 0.0153 0.0023
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0047 0.0216 0.1377
Loa Loa (eye worm) hypothetical protein 0.0024 0.0006 0.0077
Mycobacterium ulcerans acyl-CoA synthetase 0.004 0.0153 0.0219
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0039 0.0144 0.0232
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.0116 0.0831 0.0825
Loa Loa (eye worm) hypothetical protein 0.0047 0.0216 0.262
Loa Loa (eye worm) hypothetical protein 0.0047 0.0216 0.262
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0047 0.0216 0.0509
Loa Loa (eye worm) hypothetical protein 0.003 0.0061 0.0736
Brugia malayi Probable ClpP-like protease 0.006 0.033 0.0775
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0047 0.0216 0.0945
Onchocerca volvulus Protein ultraspiracle homolog 0.0047 0.0216 0.0945
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0047 0.0216 0.1377
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.006 0.033 0.2119
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0047 0.0216 0.1377
Schistosoma mansoni thyroid hormone receptor 0.0047 0.0216 0.021
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.004 0.0153 0.0254
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0047 0.0216 0.0509
Schistosoma mansoni microsomal glutathione s-transferase 0.0116 0.0831 0.0825
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0047 0.0216 0.0509
Loa Loa (eye worm) MH2 domain-containing protein 0.0092 0.0615 0.744
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0194 0.1533 1
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.0496 0.4255 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0078 0.0491 0.5942
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.0496 0.4255 1
Loa Loa (eye worm) hypothetical protein 0.0115 0.0826 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0047 0.0216 0.1377
Brugia malayi AMP-binding enzyme family protein 0.004 0.0153 0.0359
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0047 0.0216 0.1377
Loa Loa (eye worm) hypothetical protein 0.0047 0.0216 0.262
Brugia malayi nuclear hormone receptor 0.0047 0.0216 0.0509
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.006 0.033 1
Brugia malayi latrophilin 2 splice variant baaae 0.0052 0.0259 0.0608
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.0496 0.4255 1
Brugia malayi hypothetical protein 0.0025 0.0015 0.0035
Echinococcus granulosus FTZ F1 alpha 0.0047 0.0216 0.1377
Loa Loa (eye worm) hypothetical protein 0.004 0.0153 0.185
Schistosoma mansoni hypothetical protein 0.0052 0.0259 0.0252
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0025 0.0015 0.0056
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.003 0.0061 0.0035
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0078 0.0491 0.0485
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0024 0.0006 0.0015
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0194 0.1533 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0061 0.0736
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0025 0.0015 0.0008
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0025 0.0015 0.0179
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0039 0.0144 0.0232
Loa Loa (eye worm) steroid hormone receptor 0.0047 0.0216 0.262
Plasmodium falciparum dihydroorotate dehydrogenase 0.0496 0.4255 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0496 0.4255 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0078 0.0491 0.0485
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.006 0.033 0.0641
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0078 0.0491 0.3175
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0047 0.0216 0.262
Loa Loa (eye worm) hypothetical protein 0.0047 0.0216 0.262
Echinococcus multilocularis thyroid hormone receptor alpha 0.0047 0.0216 0.1377
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0078 0.0491 0.0485
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.006 0.033 0.2119
Loa Loa (eye worm) hypothetical protein 0.0047 0.0216 0.262
Brugia malayi hypothetical protein 0.0025 0.0015 0.0035
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.004 0.0153 0.0219
Brugia malayi Latrophilin receptor protein 2 0.0024 0.0006 0.0015
Brugia malayi AMP-binding enzyme family protein 0.004 0.0153 0.0359
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.004 0.0153 0.0254
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0047 0.0216 0.021
Echinococcus granulosus microsomal glutathione S transferase 3 0.0116 0.0831 0.54
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0047 0.0216 0.262
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.0496 0.4255 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0076 0.0476 0.5761
Echinococcus granulosus peptidase Clp S14 family 0.0039 0.0144 0.0899
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0047 0.0216 0.0509
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0047 0.0216 0.262
Schistosoma mansoni hypothetical protein 0.0028 0.0039 0.0033
Loa Loa (eye worm) hypothetical protein 0.006 0.033 0.3992
Brugia malayi nuclear receptor NHR-88 0.0047 0.0216 0.0509
Brugia malayi ecdysteroid receptor 0.0047 0.0216 0.0509
Brugia malayi Nuclear hormone receptor-like 1 0.0025 0.0015 0.0035
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0047 0.0216 0.1377
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0047 0.0216 0.1377
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.004 0.0153 0.0219
Schistosoma mansoni thyroid hormone receptor 0.0047 0.0216 0.021
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0047 0.0216 0.1377
Brugia malayi Nuclear hormone receptor-like 1 0.0047 0.0216 0.0509
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.004 0.0153 0.0219
Schistosoma mansoni peptidase Clp (S14 family) 0.006 0.033 0.0324
Loa Loa (eye worm) hypothetical protein 0.0025 0.0015 0.0179
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0062 0.0346 0.2224
Echinococcus multilocularis FTZ F1 alpha 0.0047 0.0216 0.1377
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0078 0.0491 0.1154
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0047 0.0216 0.1377
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0047 0.0216 0.021
Brugia malayi hypothetical protein 0.0115 0.0826 0.1942
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0047 0.0216 0.262
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.0496 0.4255 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.006 0.033 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0039 0.0144 0.0899
Loa Loa (eye worm) hypothetical protein 0.0047 0.0216 0.262
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0076 0.0476 0.1119
Brugia malayi AMP-binding enzyme family protein 0.004 0.0153 0.0359
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.006 0.033 0.5
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0194 0.1533 0.5
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0496 0.4255 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0194 0.1533 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0061 0.0736
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0047 0.0216 0.1377
Loa Loa (eye worm) hypothetical protein 0.0047 0.0216 0.262
Brugia malayi Nuclear hormone receptor-like 1 0.0025 0.0015 0.0035
Schistosoma mansoni lipoxygenase 0.0043 0.0178 0.0172
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0078 0.0491 0.3175
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.006 0.033 0.0641
Mycobacterium ulcerans acyl-CoA synthetase 0.004 0.0153 0.0219
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0047 0.0216 0.021
Brugia malayi nuclear receptor RXR 0.0025 0.0015 0.0035
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0047 0.0216 0.262
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.0496 0.4255 1
Mycobacterium ulcerans hypothetical protein 0.004 0.0153 0.0219
Schistosoma mansoni lipoxygenase 0.0062 0.0346 0.034
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0078 0.0491 0.3175
Brugia malayi Steroid receptor seven-up type 2 0.0047 0.0216 0.0509
Loa Loa (eye worm) hypothetical protein 0.003 0.0061 0.0736
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0194 0.1533 0.5
Brugia malayi Zinc finger, C2H2 type family protein 0.0194 0.1533 0.3602
Loa Loa (eye worm) hypothetical protein 0.0052 0.0259 0.313
Loa Loa (eye worm) transcription factor SMAD2 0.0092 0.0615 0.744
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.006 0.033 0.0641
Onchocerca volvulus 0.0047 0.0216 0.0945
Schistosoma mansoni dihydroorotate dehydrogenase 0.0496 0.4255 0.4252
Loa Loa (eye worm) hypothetical protein 0.0025 0.0015 0.0179
Schistosoma mansoni nuclear hormone receptor 0.0047 0.0216 0.021
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0194 0.1533 0.5
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0047 0.0216 0.0509
Echinococcus multilocularis ecdysone induced protein 78C 0.0047 0.0216 0.1377
Loa Loa (eye worm) hypothetical protein 0.004 0.0153 0.185
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.0496 0.4255 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0047 0.0216 0.0509

Activities

Activity type Activity value Assay description Source Reference
Change (functional) = 2 % Percent increase in liver weight in rats when administered perorally ChEMBL. 3950919
Change (functional) = 5 % Percent change in high density lipoproteins cholesterol concentration in serum from hypercholesterolemic rats at dose 50 mg/kg (po) ChEMBL. 3950919
Change (functional) = 11 % Percent change in total cholesterol concentration in serum from hypercholesterolemic rats at dose 50 mg/kg (po) ChEMBL. 3950919

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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