Detailed information for compound 1322409

Basic information

Technical information
  • TDR Targets ID: 1322409
  • Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl -4-oxopyrrolo[4,5-c]quinoline-2-carboxamide
  • MW: 419.473 | Formula: C24H25N3O4
  • H donors: 1 H acceptors: 2 LogP: 2.93 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CCNC(=O)c2cc3c(n2C)c2ccccc2n(c3=O)C)ccc1OC
  • InChi: 1S/C24H25N3O4/c1-26-19(14-17-22(26)16-7-5-6-8-18(16)27(2)24(17)29)23(28)25-12-11-15-9-10-20(30-3)21(13-15)31-4/h5-10,13-14H,11-12H2,1-4H3,(H,25,28)
  • InChiKey: ZIRSWTGOJRXYJT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxo-pyrrolo[4,5-c]quinoline-2-carboxamide
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxo-2-pyrrolo[4,5-c]quinolinecarboxamide
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-4-keto-1,5-dimethyl-pyrrolo[4,5-c]quinoline-2-carboxamide
  • IDI1_028092
  • MLS000871831
  • N-[2-(3,4-dimethoxyphenyl)ethyl]-1,5-dimethyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]quinoline-2-carboxamide
  • SMR000309550
  • ChemDiv3_010182

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Leishmania major hypothetical protein, conserved 0.003 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.36 0.36
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.003 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.437 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.437 0.5
Plasmodium vivax ataxin-2 like protein, putative 0.003 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.437 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 1 1
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.437 1
Brugia malayi hypothetical protein 0.0043 0.437 0.437
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 1 1
Entamoeba histolytica hypothetical protein 0.0043 0.437 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.437 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.003 0 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.36 0.36
Entamoeba histolytica hypothetical protein 0.0043 0.437 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.437 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1413 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.5849 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.3323 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 11.5821 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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