Detailed information for compound 1357182

Basic information

Technical information
  • TDR Targets ID: 1357182
  • Name: 5,7-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4- dihydro-1H-quinolin-2-one
  • MW: 373.4 | Formula: C20H23NO6
  • H donors: 1 H acceptors: 1 LogP: 2.38 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2NC(=O)CC(c2c(c1)OC)c1cc(OC)c(c(c1)OC)OC
  • InChi: 1S/C20H23NO6/c1-23-12-8-14-19(15(9-12)24-2)13(10-18(22)21-14)11-6-16(25-3)20(27-5)17(7-11)26-4/h6-9,13H,10H2,1-5H3,(H,21,22)
  • InChiKey: GCJYPAVZNHWMJZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5,7-dimethoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrocarbostyril
  • C276-0961
  • NCGC00106965-01
  • IVK/2009262
  • 5,7-Dimethoxy-4-(3,4,5-trimethoxy-phenyl)-3,4-dihydro-1H-quinolin-2-one
  • BAS 12520089

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
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
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0091 0.2924 0.9855
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 0.3856 0.3536
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.2967 0.284
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2967 0.908
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2967 0.908
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0099 0.322 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0099 0.322 1
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.1265 0.2889
Schistosoma mansoni hypothetical protein 0.0058 0.1719 0.5792
Echinococcus granulosus citrate lyase subunit beta protein 0.0024 0.0471 0.0471
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.2967 0.3818
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2967 0.908
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1229 0.4141
Brugia malayi hypothetical protein 0.0035 0.088 0.0716
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1229 0.1229
Echinococcus multilocularis survival motor neuron protein 1 0.0286 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2967 0.908
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.2967 0.26
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.006 0.177 0.5295
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.2967 1
Leishmania major hypothetical protein, conserved 0.0208 0.7187 1
Brugia malayi glucose-6-phosphate dehydrogenase 0.0091 0.2924 0.2796
Loa Loa (eye worm) hypothetical protein 0.0286 1 1
Schistosoma mansoni kinase 0.0047 0.131 0.4414
Trypanosoma brucei hypothetical protein, conserved 0.0208 0.7187 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 1 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0091 0.2924 1
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0091 0.2924 0.2924
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1229 0.1229
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0099 0.322 1
Trypanosoma brucei polo-like protein kinase 0.0093 0.2967 0.3693
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0091 0.2924 0.5
Onchocerca volvulus 0.0148 0.4988 1
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0099 0.322 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1229 0.1229
Loa Loa (eye worm) transcription factor SMAD2 0.0117 0.3856 0.3536
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2967 0.908
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1719 0.1569
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1229 0.0771
Schistosoma mansoni survival motor neuron protein 0.0058 0.1719 0.5792
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0091 0.2924 0.2924
Trypanosoma cruzi hypothetical protein, conserved 0.0208 0.7187 1
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0091 0.2924 0.3652
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0091 0.2924 0.3652
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2967 0.908
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1229 0.4141
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.2967 0.2967
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0099 0.322 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.006 0.177 0.4676
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0496 0.0038
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2967 0.3717
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1229 0.4141
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0032 0.0751 1
Brugia malayi hypothetical protein 0.0025 0.0496 0.0325
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.2967 0.3717
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.2967 0.908
Echinococcus multilocularis citrate lyase subunit beta protein 0.0024 0.0471 0.0471
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.003 0.0699 0.034
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.2967 1
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0029 0.0667 0.0292
Leishmania major hypothetical protein, conserved 0.0025 0.0496 0.0038
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1229 0.1229
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0496 0.0038
Trypanosoma cruzi hypothetical protein, conserved 0.0208 0.7187 1
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.0099 0.322 1
Brugia malayi hypothetical protein 0.0148 0.4988 0.4898
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0091 0.2924 0.2555
Loa Loa (eye worm) hypothetical protein 0.0148 0.4988 0.4727
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0091 0.2924 0.5
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0099 0.322 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.088 0.088
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.088 0.2967
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.2967 0.2967
Brugia malayi MH2 domain containing protein 0.0117 0.3856 0.3745
Schistosoma mansoni hypothetical protein 0.0035 0.088 0.2967
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.2967 0.3717
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.1265 0.2889
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1229 0.107
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.088 0.088
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0091 0.2924 0.3628

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (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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