Detailed information for compound 1592563

Basic information

Technical information
  • TDR Targets ID: 1592563
  • Name: 4-(3,4,5-trimethoxybenzoyl)-1,3-dihydroquinox alin-2-one
  • MW: 342.346 | Formula: C18H18N2O5
  • H donors: 1 H acceptors: 2 LogP: 1.83 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)C(=O)N1CC(=O)Nc2c1cccc2
  • InChi: 1S/C18H18N2O5/c1-23-14-8-11(9-15(24-2)17(14)25-3)18(22)20-10-16(21)19-12-6-4-5-7-13(12)20/h4-9H,10H2,1-3H3,(H,19,21)
  • InChiKey: LZBKABOWCIGXMZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[oxo-(3,4,5-trimethoxyphenyl)methyl]-1,3-dihydroquinoxalin-2-one
  • 4-(3,4,5-trimethoxyphenyl)carbonyl-1,3-dihydroquinoxalin-2-one
  • ASN 12270924
  • ZINC05016623
  • 4-(3,4,5-Trimethoxy-benzoyl)-3,4-dihydro-1H-quinoxalin-2-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0801 0.364 0.9469
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0536 0.2417 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0088 0.0275
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0413 0.1638
Brugia malayi phosphofructokinase 0.0107 0.0433 0.1722
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.0433 0.1521
Schistosoma mansoni carbonic anhydrase-related 0.0253 0.1107 0.2881
Onchocerca volvulus 0.0416 0.1858 1
Loa Loa (eye worm) hypothetical protein 0.0103 0.0413 0.1634
Loa Loa (eye worm) hypothetical protein 0.0253 0.1107 0.4534
Echinococcus granulosus carbonic anhydrase 0.0253 0.1107 0.2881
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0253 0.1107 0.4536
Toxoplasma gondii inorganic anion transporter, sulfate permease (SulP) family protein 0.0066 0.0243 0.1658
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0536 0.2417 1
Echinococcus multilocularis carbonic anhydrase 0.0253 0.1107 0.2881
Loa Loa (eye worm) hypothetical protein 0.0253 0.1107 0.4534
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0192 0.05
Plasmodium vivax sulfate transporter, putative 0.0066 0.0243 1
Trypanosoma brucei carbonic anhydrase-like protein 0.0536 0.2417 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0088 0.0279
Entamoeba histolytica hypothetical protein 0.0074 0.0281 0.1529
Toxoplasma gondii histone lysine methyltransferase SET1 0.0112 0.0457 0.3721
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0433 0.0365
Echinococcus multilocularis carbonic anhydrase 0.0253 0.1107 0.2881
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0433 0.2643
Brugia malayi 6-phosphofructokinase 0.0107 0.0433 0.1722
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0433 0.0365
Schistosoma mansoni cpg binding protein 0.0063 0.0227 0.059
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0253 0.1107 0.4536
Echinococcus granulosus carbonic anhydrase 0.0253 0.1107 0.2881
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0078 0.0064
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0018 0.0022 0.0057
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0015 0.0005 0.0013
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0066 0.0243 0.0707
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0536 0.2417 1
Onchocerca volvulus 0.0365 0.1624 0.8579
Entamoeba histolytica hypothetical protein 0.0074 0.0281 0.1529
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0536 0.2417 0.6286
Echinococcus multilocularis cpg binding protein 0.0063 0.0227 0.059
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0088 0.0279
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.0678 0.3069 0.3047
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0192 0.0716
Onchocerca volvulus Putative sulfate transporter 0.0416 0.1858 1
Entamoeba histolytica carbonic anhydrase, putative 0.0326 0.1442 1
Leishmania major carbonic anhydrase family protein, putative 0.0326 0.1442 0.5832
Entamoeba histolytica hypothetical protein 0.0074 0.0281 0.1529
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0192 0.05
Echinococcus multilocularis geminin 0.0167 0.0711 0.1849
Loa Loa (eye worm) carbonic anhydrase 3 0.0536 0.2417 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0536 0.2417 0.6286
Loa Loa (eye worm) hypothetical protein 0.0365 0.1624 0.669
Echinococcus granulosus mixed lineage leukemia protein mll 0.0015 0.0005 0.0013
Plasmodium falciparum inorganic anion exchanger, inorganic anion antiporter 0.0066 0.0243 0.1658
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0192 0.05
Schistosoma mansoni hypothetical protein 0.0033 0.0088 0.0228
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0015 0.0005 0.0013
Brugia malayi 6-phosphofructokinase 0.0107 0.0433 0.1722
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0253 0.1107 0.4534
Echinococcus multilocularis carbonic anhydrase 0.0253 0.1107 0.2881
Trypanosoma cruzi Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0066 0.0243 0.0707
Echinococcus granulosus carbonic anhydrase 0.0253 0.1107 0.2881
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0107 0.0433 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0126 0.0519 0.135
Schistosoma mansoni hypothetical protein 0.0253 0.1107 0.2881
Schistosoma mansoni carbonic anhydrase-related 0.0253 0.1107 0.2881
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0192 0.05
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0088 0.0228
Plasmodium falciparum carbonic anhydrase 0.0253 0.1107 1
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0262 0.1009
Brugia malayi hypothetical protein 0.0074 0.0281 0.1085
Loa Loa (eye worm) hypothetical protein 0.007 0.0262 0.1005
Schistosoma mansoni hypothetical protein 0.0074 0.0281 0.073
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.0433 0.1719
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0433 0.0365
Loa Loa (eye worm) hypothetical protein 0.0253 0.1107 0.4534
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0107 0.0433 0.1521
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0192 0.05
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0281 0.073
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0433 0.2643
Entamoeba histolytica phosphofructokinase, putative 0.0107 0.0433 0.2643
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0015 0.0005 0.0013
Brugia malayi CXXC zinc finger family protein 0.0059 0.0211 0.0795
Entamoeba histolytica hypothetical protein 0.0074 0.0281 0.1529
Echinococcus granulosus 6 phosphofructokinase 0.0107 0.0433 0.1127
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0192 0.05
Echinococcus granulosus geminin 0.0167 0.0711 0.1849
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0281 0.073
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0078 0.0064
Trypanosoma brucei Sulfate transporter N-terminal domain with GLY motif/Sulfate transporter family, putative 0.0066 0.0243 0.0707
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0078 0.0064
Schistosoma mansoni hypothetical protein 0.0033 0.0088 0.0228
Echinococcus granulosus GPCR family 2 0.0033 0.0088 0.0228
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0253 0.1107 0.4536
Schistosoma mansoni cpg binding protein 0.0063 0.0227 0.059
Schistosoma mansoni hypothetical protein 0.007 0.0262 0.0683
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0413 0.1634
Trichomonas vaginalis phosphofructokinase, putative 0.0107 0.0433 0.0365
Schistosoma mansoni hypothetical protein 0.0033 0.0088 0.0228
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0029 0.0071 0.5
Brugia malayi hypothetical protein 0.003 0.0078 0.0237
Schistosoma mansoni cpg binding protein 0.0059 0.0211 0.055
Loa Loa (eye worm) 6-phosphofructokinase 0.0107 0.0433 0.1719
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0192 0.05
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0536 0.2417 1
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.048 0.2156 0.199
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.1979 0.9086 1
Brugia malayi hypothetical protein 0.002 0.0028 0.0029
Leishmania major carbonic anhydrase-like protein 0.0536 0.2417 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0088 0.0228
Schistosoma mansoni carbonic anhydrase 0.0326 0.1442 0.375
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0088 0.0228
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.0211 0.0791
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0281 0.073
Trichomonas vaginalis conserved hypothetical protein 0.2177 1 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0253 0.1107 0.4536
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0253 0.1107 0.4536
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0413 0.1638
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.0128 0.0528 0.0109
Echinococcus multilocularis dnaJ subfamily B 0.0845 0.3845 1
Mycobacterium ulcerans 6-phosphofructokinase 0.0107 0.0433 0.0195
Schistosoma mansoni carbonic anhydrase-related 0.0253 0.1107 0.2881
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0192 0.0712
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0088 0.0275
Echinococcus granulosus cpg binding protein 0.0063 0.0227 0.059
Schistosoma mansoni hypothetical protein 0.0167 0.0711 0.1849
Loa Loa (eye worm) hypothetical protein 0.003 0.0078 0.0233
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0078 0.0383
Echinococcus granulosus dnaJ subfamily B 0.0845 0.3845 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.0326 0.1442 0.5854
Loa Loa (eye worm) phosphofructokinase 0.0107 0.0433 0.1719
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0018 0.0022 0.0057
Echinococcus multilocularis 6 phosphofructokinase 0.0107 0.0433 0.1127
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.0433 0.1127
Schistosoma mansoni carbonic anhydrase 0.0253 0.1107 0.2881
Toxoplasma gondii hypothetical protein 0.0253 0.1107 1
Leishmania major ATP-dependent phosphofructokinase 0.0107 0.0433 0.1521
Schistosoma mansoni 6-phosphofructokinase 0.0107 0.0433 0.1127
Schistosoma mansoni hypothetical protein 0.0845 0.3845 1
Mycobacterium ulcerans carbonic anhydrase 0.0326 0.1442 0.1229
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0015 0.0005 0.0013
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0088 0.0228
Brugia malayi hypothetical protein 0.0365 0.1624 0.6692
Chlamydia trachomatis sulfate transporter 0.0066 0.0243 1
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0536 0.2417 1
Trichomonas vaginalis conserved hypothetical protein 0.2177 1 1
Echinococcus multilocularis carbonic anhydrase II 0.0536 0.2417 0.6286
Schistosoma mansoni hypothetical protein 0.0033 0.0088 0.0228
Echinococcus granulosus carbonic anhydrase II 0.0536 0.2417 0.6286
Mycobacterium leprae Probable transmembrane transport protein 0.048 0.2156 1
Schistosoma mansoni hypothetical protein 0.0167 0.0711 0.1849
Echinococcus multilocularis GPCR, family 2 0.0033 0.0088 0.0228

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5168 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.6805 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5962 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.2584 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks. (Class of assay: confirmatory) 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

No literature references available for this target.

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