Detailed information for compound 1091079

Basic information

Technical information
  • TDR Targets ID: 1091079
  • Name: 7-hydroxy-6-methoxy-2-methyl-3,4-dihydroisoqu inolin-1-one
  • MW: 207.226 | Formula: C11H13NO3
  • H donors: 1 H acceptors: 2 LogP: 1.03 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2CCN(C(=O)c2cc1O)C
  • InChi: 1S/C11H13NO3/c1-12-4-3-7-5-10(15-2)9(13)6-8(7)11(12)14/h5-6,13H,3-4H2,1-2H3
  • InChiKey: WPKMGEQXTYQXGI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 7-hydroxy-6-methoxy-2-methyl-3,4-dihydroisocarbostyril
  • 21796-15-6
  • 1(2H)-Isoquinolinone, 3,4-dihydro-7-hydroxy-6-methoxy-2-methyl-
  • Isocarbostyril, 3,4-dihydro-7-hydroxy-6-methoxy-2-methyl-

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
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.439 0.4381
Brugia malayi beta-lactamase family protein 0.0038 0.0389 0.0408
Echinococcus multilocularis lysosomal alpha glucosidase 0.0159 0.439 0.4381
Onchocerca volvulus 0.0038 0.0389 0.1723
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0057 0.1019 0.1005
Schistosoma mansoni tar DNA-binding protein 0.0143 0.388 0.387
Trichomonas vaginalis esterase, putative 0.0038 0.0389 0.0088
Onchocerca volvulus 0.0038 0.0389 0.1723
Loa Loa (eye worm) beta-lactamase 0.0038 0.0389 0.0425
Echinococcus granulosus lysosomal alpha glucosidase 0.0159 0.439 0.4381
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0782 0.0768
Toxoplasma gondii ABC1 family protein 0.0038 0.0389 0.008
Echinococcus multilocularis beta LACTamase domain containing family member 0.0038 0.0389 0.0374
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0792 0.0777
Mycobacterium ulcerans aldehyde dehydrogenase 0.0328 1 1
Brugia malayi mbt repeat family protein 0.005 0.0792 0.085
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.3351 0.3664
Loa Loa (eye worm) hypothetical protein 0.0026 0.0016 0.0017
Brugia malayi glutaminase DH11.1 0.0303 0.9146 1
Schistosoma mansoni myelin transcription factor 1 myt1 0.0057 0.1019 0.1005
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0389 1
Loa Loa (eye worm) glutaminase 0.0303 0.9146 1
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0196 0.5625 0.5618
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0016 0.0017
Brugia malayi Glycosyl hydrolases family 31 protein 0.0159 0.439 0.4791
Schistosoma mansoni aldehyde dehydrogenase 0.0328 1 1
Schistosoma mansoni tar DNA-binding protein 0.0143 0.388 0.387
Entamoeba histolytica hypothetical protein 0.0073 0.1545 1
Echinococcus multilocularis polycomb protein SCMH1 0.005 0.0792 0.0777
Schistosoma mansoni hypothetical protein 0.0073 0.1545 0.1532
Trypanosoma cruzi hypothetical protein, conserved 0.0038 0.0389 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0328 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.3351 0.3664
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.1545 0.1532
Schistosoma mansoni hypothetical protein 0.0302 0.914 0.9138
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0311 0.0296
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0311 0.0296
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.1545 0.1532
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0389 0.0088
Echinococcus multilocularis SAM and MBT domain containing protein 0.005 0.0792 0.0777
Loa Loa (eye worm) hypothetical protein 0.0038 0.0389 0.0425
Schistosoma mansoni tar DNA-binding protein 0.0143 0.388 0.387
Loa Loa (eye worm) glutaminase 2 0.0303 0.9146 1
Brugia malayi MH2 domain containing protein 0.0127 0.3351 0.3653
Echinococcus granulosus polycomb protein SCMH1 0.005 0.0792 0.0777
Brugia malayi hypothetical protein 0.0073 0.1545 0.1675
Brugia malayi mbt repeat family protein 0.005 0.0792 0.085
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0389 0.0374
Brugia malayi RNA recognition motif domain containing protein 0.0143 0.388 0.4232
Echinococcus granulosus beta LACTamase domain containing family member 0.0038 0.0389 0.0374
Brugia malayi TAR-binding protein 0.0143 0.388 0.4232
Schistosoma mansoni sex comb on midleg homolog 0.005 0.0792 0.0777
Schistosoma mansoni alpha glucosidase 0.0035 0.0311 0.0296
Loa Loa (eye worm) MBCTL1 0.0057 0.1019 0.1114
Loa Loa (eye worm) hypothetical protein 0.0038 0.0389 0.0425
Toxoplasma gondii aldehyde dehydrogenase 0.0328 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0311 0.034
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0328 1 1
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0159 0.439 0.48
Echinococcus granulosus histone acetyltransferase MYST2 0.0057 0.1019 0.1005
Loa Loa (eye worm) hypothetical protein 0.0038 0.0389 0.0425
Schistosoma mansoni alpha-glucosidase 0.0137 0.366 0.365
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0782 0.0768
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0038 0.0389 0.0408
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.005 0.0792 0.3585
Trichomonas vaginalis glutaminase, putative 0.0303 0.9146 1
Entamoeba histolytica hypothetical protein 0.0073 0.1545 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0782 0.0768
Loa Loa (eye worm) hypothetical protein 0.0038 0.0389 0.0425
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0389 0.0088
Loa Loa (eye worm) hypothetical protein 0.0057 0.1019 0.1114
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0782 0.0768
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.005 0.0792 0.0777
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0782 0.0768
Mycobacterium tuberculosis Possible penicillin-binding protein 0.024 0.7074 0.6956
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.1545 0.1532
Loa Loa (eye worm) hypothetical protein 0.0038 0.0389 0.0425
Echinococcus multilocularis histone acetyltransferase MYST2 0.0057 0.1019 0.1005
Entamoeba histolytica hypothetical protein 0.0073 0.1545 1
Echinococcus granulosus SAM and MBT domain containing protein 0.005 0.0792 0.0777
Loa Loa (eye worm) TAR-binding protein 0.0143 0.388 0.4242
Echinococcus multilocularis tar DNA binding protein 0.0143 0.388 0.387
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0328 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0038 0.0389 0.0374
Loa Loa (eye worm) hypothetical protein 0.0038 0.0389 0.0425
Schistosoma mansoni aldehyde dehydrogenase 0.0328 1 1
Schistosoma mansoni glutaminase 0.0303 0.9146 0.9145
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0782 0.0839
Schistosoma mansoni tar DNA-binding protein 0.0143 0.388 0.387
Loa Loa (eye worm) RNA binding protein 0.0143 0.388 0.4242
Mycobacterium ulcerans aldehyde dehydrogenase 0.0328 1 1
Schistosoma mansoni alpha-glucosidase 0.0137 0.366 0.365
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0057 0.1019 0.1099
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0389 0.0088
Trypanosoma brucei hypothetical protein, conserved 0.0038 0.0389 1
Leishmania major hypothetical protein, conserved 0.0038 0.0389 0.008
Entamoeba histolytica hypothetical protein 0.0073 0.1545 1
Brugia malayi RNA binding protein 0.0143 0.388 0.4232
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0389 0.5
Brugia malayi beta-lactamase 0.0038 0.0389 0.0408
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0311 0.0324
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0038 0.0389 0.0425
Onchocerca volvulus 0.0038 0.0389 0.1723
Onchocerca volvulus 0.0092 0.218 1
Loa Loa (eye worm) mbt repeat family protein 0.005 0.0792 0.0866
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0782 0.0855
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0143 0.388 0.4242
Brugia malayi beta-lactamase family protein 0.0038 0.0389 0.0408
Mycobacterium ulcerans aldehyde dehydrogenase 0.0328 1 1
Onchocerca volvulus 0.005 0.0792 0.3585
Loa Loa (eye worm) hypothetical protein 0.005 0.0792 0.0866
Mycobacterium leprae Probable lipase LipE 0.0038 0.0389 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0038 0.0389 0.0088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0782 0.0768
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0016 0.0017
Echinococcus granulosus tar DNA binding protein 0.0143 0.388 0.387
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0196 0.5625 0.5618
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0782 0.0768
Mycobacterium ulcerans glutaminase 0.0303 0.9146 0.9111
Mycobacterium leprae conserved hypothetical protein 0.0038 0.0389 0.5
Schistosoma mansoni tar DNA-binding protein 0.0143 0.388 0.387
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0057 0.1019 0.1005
Trichomonas vaginalis penicillin-binding protein, putative 0.0038 0.0389 0.0088

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 1 mM Inhibition of mushroom tyrosinase using L-DOPA after 10 mins by ELISA reader ChEMBL. 21500777

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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