Detailed information for compound 869835

Basic information

Technical information
  • TDR Targets ID: 869835
  • Name: N-(2-chloro-4-methylphenyl)-2-(4-oxopyrrolo[2 ,1-c]quinoxalin-5-yl)acetamide
  • MW: 365.813 | Formula: C20H16ClN3O2
  • H donors: 1 H acceptors: 2 LogP: 3.65 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(c(c1)Cl)NC(=O)Cn1c(=O)c2cccn2c2c1cccc2
  • InChi: 1S/C20H16ClN3O2/c1-13-8-9-15(14(21)11-13)22-19(25)12-24-17-6-3-2-5-16(17)23-10-4-7-18(23)20(24)26/h2-11H,12H2,1H3,(H,22,25)
  • InChiKey: CHFKOIQHFUYLSP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-chloro-4-methyl-phenyl)-2-(4-oxopyrrolo[2,1-c]quinoxalin-5-yl)acetamide
  • N-(2-chloro-4-methylphenyl)-2-(4-oxo-5-pyrrolo[2,1-c]quinoxalinyl)acetamide
  • N-(2-chloro-4-methyl-phenyl)-2-(4-ketopyrrolo[2,1-c]quinoxalin-5-yl)acetamide
  • N-(2-chloro-4-methyl-phenyl)-2-(4-oxopyrrolo[2,1-c]quinoxalin-5-yl)ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor 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
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0233 0.8814 0.8814
Schistosoma mansoni hypothetical protein 0.0043 0.0105 0.0105
Entamoeba histolytica hypothetical protein 0.0043 0.0105 0.5
Echinococcus granulosus [G-protein-coupledreceptor] kinase 0.0233 0.8814 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0873 0.0873
Echinococcus multilocularis G protein coupled receptor kinase 6 0.0233 0.8814 1
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0259 1 1
Brugia malayi hypothetical protein 0.0043 0.0105 0.0105
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0105 0.0105
Loa Loa (eye worm) hypothetical protein 0.006 0.0873 0.0873
Entamoeba histolytica hypothetical protein 0.0043 0.0105 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0873 0.0873
Schistosoma mansoni serine/threonine protein kinase 0.0259 1 1
Loa Loa (eye worm) G protein-coupled receptor kinase 1 0.0233 0.8814 0.8814
Entamoeba histolytica hypothetical protein 0.0043 0.0105 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0105 0.5
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0233 0.8814 0.8814
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0873 0.0873

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.6964 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) 6.3096 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.2 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) 20.5962 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 28.1838 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 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) = 100 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 112.2018 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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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