Detailed information for compound 798949

Basic information

Technical information
  • TDR Targets ID: 798949
  • Name: 6,7-dimethoxy-3-(4-methoxyphenyl)-N-(3-methox ypropyl)-2-methyl-1-oxo-3,4-dihydroisoquinoli ne-4-carboxamide
  • MW: 442.505 | Formula: C24H30N2O6
  • H donors: 1 H acceptors: 2 LogP: 2.06 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNC(=O)C1c2cc(OC)c(cc2C(=O)N(C1c1ccc(cc1)OC)C)OC
  • InChi: 1S/C24H30N2O6/c1-26-22(15-7-9-16(30-3)10-8-15)21(23(27)25-11-6-12-29-2)17-13-19(31-4)20(32-5)14-18(17)24(26)28/h7-10,13-14,21-22H,6,11-12H2,1-5H3,(H,25,27)
  • InChiKey: AEJXNKVZRLLROL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-keto-6,7-dimethoxy-3-(4-methoxyphenyl)-N-(3-methoxypropyl)-2-methyl-3,4-dihydroisoquinoline-4-carboxamide

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
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.0903 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0213 0.079
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0213 0.0715
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.0903 0.0903
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0903 0.3303
Mycobacterium ulcerans esterase/lipase LipP 0.0072 0.0903 0.5
Loa Loa (eye worm) RNA binding protein 0.019 0.269 1
Brugia malayi beta-lactamase family protein 0.0072 0.0903 0.3303
Schistosoma mansoni tar DNA-binding protein 0.019 0.269 0.2532
Onchocerca volvulus 0.0072 0.0903 1
Schistosoma mansoni tar DNA-binding protein 0.019 0.269 0.2532
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0903 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0205 0.0762
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0213 0.079
Toxoplasma gondii ABC1 family protein 0.0072 0.0903 0.5
Mycobacterium ulcerans hypothetical protein 0.0072 0.0903 0.5
Onchocerca volvulus 0.0072 0.0903 1
Brugia malayi intermediate filament protein 0.0027 0.0213 0.0715
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0903 0.5
Mycobacterium leprae Probable lipase LipE 0.0072 0.0903 0.5
Mycobacterium ulcerans lipase LipD 0.0072 0.0903 0.5
Schistosoma mansoni microtubule-associated protein tau 0.067 1 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.0903 0.0903
Trichomonas vaginalis esterase, putative 0.0072 0.0903 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0124 0.1691 0.6286
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0903 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0903 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.0903 0.3357
Loa Loa (eye worm) hypothetical protein 0.0072 0.0903 0.3357
Echinococcus granulosus tar DNA binding protein 0.019 0.269 0.269
Loa Loa (eye worm) hypothetical protein 0.0072 0.0903 0.3357
Schistosoma mansoni tar DNA-binding protein 0.019 0.269 0.2532
Loa Loa (eye worm) hypothetical protein 0.0072 0.0903 0.3357
Echinococcus multilocularis musashi 0.0027 0.0213 0.0213
Echinococcus multilocularis microtubule associated protein 2 0.067 1 1
Echinococcus multilocularis tar DNA binding protein 0.019 0.269 0.269
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0903 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0903 0.0706
Schistosoma mansoni tar DNA-binding protein 0.019 0.269 0.2532
Leishmania major hypothetical protein, conserved 0.0072 0.0903 0.5
Echinococcus granulosus lamin dm0 0.0027 0.0213 0.0213
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0903 0.5
Brugia malayi RNA binding protein 0.019 0.269 1
Brugia malayi MH2 domain containing protein 0.0124 0.1691 0.6255
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0903 0.3357
Brugia malayi beta-lactamase family protein 0.0072 0.0903 0.3303
Schistosoma mansoni tar DNA-binding protein 0.019 0.269 0.2532
Mycobacterium ulcerans beta-lactamase 0.0072 0.0903 0.5
Brugia malayi RNA recognition motif domain containing protein 0.019 0.269 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0072 0.0903 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0124 0.1691 0.6286
Loa Loa (eye worm) hypothetical protein 0.0072 0.0903 0.3357
Loa Loa (eye worm) beta-lactamase 0.0072 0.0903 0.3357
Echinococcus multilocularis lamin dm0 0.0027 0.0213 0.0213
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.0903 0.0706
Echinococcus multilocularis lamin 0.0027 0.0213 0.0213
Brugia malayi beta-lactamase 0.0072 0.0903 0.3303
Loa Loa (eye worm) hypothetical protein 0.0072 0.0903 0.3357
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0903 0.5
Onchocerca volvulus 0.0072 0.0903 1
Brugia malayi TAR-binding protein 0.019 0.269 1
Loa Loa (eye worm) TAR-binding protein 0.019 0.269 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0903 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0022 0.0081
Echinococcus granulosus intermediate filament protein 0.0027 0.0213 0.0213
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0903 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.019 0.269 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0463 0.684 1
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0213 0.079
Echinococcus granulosus lamin 0.0027 0.0213 0.0213

Activities

No activities found for this compound.

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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