Detailed information for compound 1582229

Basic information

Technical information
  • TDR Targets ID: 1582229
  • Name: N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)acetami de
  • MW: 204.225 | Formula: C11H12N2O2
  • H donors: 2 H acceptors: 2 LogP: 0.24 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc2c(c1)NC(=O)CC2
  • InChi: 1S/C11H12N2O2/c1-7(14)12-9-4-2-8-3-5-11(15)13-10(8)6-9/h2,4,6H,3,5H2,1H3,(H,12,14)(H,13,15)
  • InChiKey: OCQPJZCRNODSKC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-keto-3,4-dihydro-1H-quinolin-7-yl)acetamide
  • N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)ethanamide
  • SMR000297872
  • ZINC04694082
  • A3576/0151802
  • MLS000679619
  • N-(2-oxo-1,2,3,4-tetrahydro-7-quinolinyl)acetamide

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
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0823 0.3263 1
Brugia malayi Protein kinase domain containing protein 0.0526 0.1856 0.5048
Schistosoma mansoni tyrosine kinase 0.0133 0.0002 0.001
Schistosoma mansoni tyrosine kinase 0.0526 0.1856 1
Trichomonas vaginalis STE family protein kinase 0.0222 0.0422 1
Echinococcus granulosus epidermal growth factor receptor 0.0239 0.0502 0.0359
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0526 0.1856 0.6996
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.136 0.5802 0.5
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.136 0.5802 0.5
Mycobacterium ulcerans serine/threonine-protein kinase B PknB 0.2249 1 1
Treponema pallidum hypothetical protein 0.0888 0.357 0.5
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0222 0.0422 0.159
Mycobacterium tuberculosis Transmembrane serine/threonine-protein kinase B PknB (protein kinase B) (STPK B) 0.2249 1 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0239 0.0502 0.0359
Trichomonas vaginalis STE family protein kinase 0.0222 0.0422 1
Schistosoma mansoni protein kinase 0.0222 0.0422 0.2273
Echinococcus granulosus epidermal growth factor receptor 0.0239 0.0502 0.0359
Loa Loa (eye worm) hypothetical protein 0.0286 0.0726 0.1127
Brugia malayi Protein kinase domain containing protein 0.0291 0.0746 0.1141
Schistosoma mansoni tyrosine kinase 0.0235 0.0482 0.2596
Schistosoma mansoni tyrosine kinase 0.0239 0.0502 0.2704
Schistosoma mansoni protein kinase 0.0222 0.0422 0.2273
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.136 0.5802 0.5
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0222 0.0422 0.159
Trypanosoma cruzi NEK family Serine/threonine-protein kinase, putative 0.136 0.5802 0.5
Giardia lamblia Kinase, STE STE20 0.0222 0.0422 0.5
Loa Loa (eye worm) TK/INSR protein kinase 0.0526 0.1856 0.5079
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0222 0.0422 0.159
Entamoeba histolytica protein kinase, putative 0.0222 0.0422 1
Echinococcus multilocularis epidermal growth factor receptor 0.0239 0.0502 0.1892
Entamoeba histolytica p21-activated kinase 0.0222 0.0422 1
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.0694 0.2653 1
Trichomonas vaginalis STE family protein kinase 0.0222 0.0422 1
Schistosoma mansoni tyrosine kinase 0.0239 0.0502 0.2704
Brugia malayi serine/threonine-protein kinase PAK 7 0.0823 0.3263 1
Echinococcus multilocularis insulin receptor 0.0526 0.1856 0.6996
Trichomonas vaginalis STE family protein kinase 0.0222 0.0422 1
Echinococcus granulosus insulin receptor 0.0526 0.1856 0.6428
Schistosoma mansoni serine/threonine protein kinase 0.0133 0.0002 0.001
Echinococcus multilocularis epidermal growth factor receptor 0.0239 0.0502 0.1892
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.0694 0.2653 1
Schistosoma mansoni tyrosine kinase 0.0235 0.0482 0.2596
Trichomonas vaginalis conserved hypothetical protein 0.0218 0.0404 0.9571
Schistosoma mansoni tyrosine kinase 0.0235 0.0482 0.2596
Treponema pallidum penicillin-binding protein (pbp-3) 0.0888 0.357 0.5
Schistosoma mansoni tyrosine kinase 0.0239 0.0502 0.2704
Schistosoma mansoni tyrosine kinase 0.0526 0.1856 1
Brugia malayi Furin-like cysteine rich region family protein 0.0239 0.0502 0.0282
Loa Loa (eye worm) TK/EGFR protein kinase 0.0239 0.0502 0.0343
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0526 0.1856 0.6428

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 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

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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