Detailed information for compound 1435328

Basic information

Technical information
  • TDR Targets ID: 1435328
  • Name: 1-ethyl-7,8-dimethoxy-5-(2-methoxyphenyl)-3-p henylpyrazolo[5,4-c]isoquinoline
  • MW: 439.506 | Formula: C27H25N3O3
  • H donors: 0 H acceptors: 2 LogP: 6.15 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OC)c(nc1c2c(CC)nn1c1ccccc1)c1ccccc1OC
  • InChi: 1S/C27H25N3O3/c1-5-21-25-19-15-23(32-3)24(33-4)16-20(19)26(18-13-9-10-14-22(18)31-2)28-27(25)30(29-21)17-11-7-6-8-12-17/h6-16H,5H2,1-4H3
  • InChiKey: BXIMWRZOVPPBPO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-ethyl-7,8-dimethoxy-5-(2-methoxyphenyl)-3-phenyl-pyrazolo[5,4-c]isoquinoline
  • NCGC00099288-01
  • ZINC02878780
  • EU-0009717
  • Oprea1_736466

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0041 0.1904 0.1904
Echinococcus multilocularis GPCR, family 2 0.0019 0.045 0.045
Echinococcus granulosus GPCR family 2 0.0019 0.045 0.0489
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.045 0.1426
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.3157 1
Onchocerca volvulus Bile acid receptor homolog 0.0012 0 0.5
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.9197 0.9197
Schistosoma mansoni hypothetical protein 0.0019 0.045 0.045
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.045 0.0489
Schistosoma mansoni thyroid hormone receptor 0.0164 1 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.9197 1
Schistosoma mansoni hypothetical protein 0.0019 0.045 0.045
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.3157 1
Schistosoma mansoni thyroid hormone receptor 0.0164 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1904 0.6031
Brugia malayi Latrophilin receptor protein 2 0.0019 0.045 0.1426
Loa Loa (eye worm) hypothetical protein 0.0041 0.1904 0.6031
Schistosoma mansoni hypothetical protein 0.0152 0.9197 0.9197
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.045 0.045
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.045 0.0489
Loa Loa (eye worm) hypothetical protein 0.006 0.3157 1
Schistosoma mansoni hypothetical protein 0.0019 0.045 0.045
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.3157 1
Onchocerca volvulus 0.0012 0 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.045 0.045
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0 0.5
Schistosoma mansoni hypothetical protein 0.0019 0.045 0.045
Loa Loa (eye worm) hypothetical protein 0.0019 0.045 0.1426
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.045 0.1426

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1413 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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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