Detailed information for compound 1401873

Basic information

Technical information
  • TDR Targets ID: 1401873
  • Name: 7,8-dimethoxy-1-(4-methylphenyl)-3-phenylpyra zolo[4,5-c]quinoline
  • MW: 395.453 | Formula: C25H21N3O2
  • H donors: 0 H acceptors: 2 LogP: 5.47 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc2c(cc1OC)ncc1c2n(nc1c1ccccc1)c1ccc(cc1)C
  • InChi: 1S/C25H21N3O2/c1-16-9-11-18(12-10-16)28-25-19-13-22(29-2)23(30-3)14-21(19)26-15-20(25)24(27-28)17-7-5-4-6-8-17/h4-15H,1-3H3
  • InChiKey: NKIZDNBTFHOXMR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7,8-dimethoxy-1-(4-methylphenyl)-3-phenyl-pyrazolo[4,5-c]quinoline
  • G360-1163
  • NCGC00130565-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major cytochrome P450 reductase, putative 0.0192 0.8717 0.8717
Entamoeba histolytica type A flavoprotein, putative 0.0083 0.3033 0.5
Brugia malayi TAR-binding protein 0.0076 0.2693 0.2693
Leishmania major hypothetical protein, conserved 0.0083 0.3033 0.3033
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2693 0.2693
Entamoeba histolytica type A flavoprotein, putative 0.0083 0.3033 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0134 0.5684 0.5684
Chlamydia trachomatis sulfite reductase 0.0134 0.5684 1
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0083 0.3033 0.3033
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0083 0.3033 0.3033
Plasmodium vivax hypothetical protein, conserved 0.0083 0.3033 0.3033
Schistosoma mansoni diflavin oxidoreductase 0.0108 0.4316 0.4316
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2693 0.2693
Giardia lamblia Nitric oxide synthase, inducible 0.0192 0.8717 1
Brugia malayi flavodoxin family protein 0.0083 0.3033 0.3033
Treponema pallidum flavodoxin 0.0083 0.3033 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2693 0.2693
Entamoeba histolytica type A flavoprotein, putative 0.0083 0.3033 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.2693 0.2693
Brugia malayi MH2 domain containing protein 0.0144 0.6209 0.6209
Entamoeba histolytica type A flavoprotein, putative 0.0083 0.3033 0.5
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0083 0.3033 0.3033
Echinococcus multilocularis methionine synthase reductase 0.0134 0.5684 0.5684
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0083 0.3033 0.3033
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6209 0.6209
Toxoplasma gondii flavodoxin domain-containing protein 0.0108 0.4316 1
Plasmodium vivax flavodoxin domain containing protein 0.0192 0.8717 0.8717
Giardia lamblia Hypothetical protein 0.0192 0.8717 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6209 0.6209
Loa Loa (eye worm) TAR-binding protein 0.0076 0.2693 0.2693
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0192 0.8717 0.8159
Entamoeba histolytica type A flavoprotein, putative 0.0083 0.3033 0.5
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0083 0.3033 0.3033
Echinococcus multilocularis tar DNA binding protein 0.0076 0.2693 0.2693
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.2693 0.2693
Echinococcus granulosus methionine synthase reductase 0.0134 0.5684 0.5684
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2693 0.2693
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0134 0.5684 0.5684
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0083 0.3033 0.3033
Schistosoma mansoni NADPH flavin oxidoreductase 0.0109 0.4402 0.4402
Loa Loa (eye worm) RNA binding protein 0.0076 0.2693 0.2693
Brugia malayi RNA binding protein 0.0076 0.2693 0.2693
Schistosoma mansoni tar DNA-binding protein 0.0076 0.2693 0.2693
Brugia malayi FAD binding domain containing protein 0.0134 0.5684 0.5684
Echinococcus granulosus tar DNA binding protein 0.0076 0.2693 0.2693
Toxoplasma gondii flavodoxin domain-containing protein 0.0108 0.4316 1
Loa Loa (eye worm) flavodoxin family protein 0.0083 0.3033 0.3033

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of mutant isocitrate dehydrogenase 1 (IDH1): qHTS. (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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