Detailed information for compound 1322356

Basic information

Technical information
  • TDR Targets ID: 1322356
  • Name: 2-oxo-N-(1-phenylethyl)-1H-quinoline-4-carbox amide
  • MW: 292.332 | Formula: C18H16N2O2
  • H donors: 2 H acceptors: 3 LogP: 3.34 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc2ccccc2c(c1)C(=O)NC(c1ccccc1)C
  • InChi: 1S/C18H16N2O2/c1-12(13-7-3-2-4-8-13)19-18(22)15-11-17(21)20-16-10-6-5-9-14(15)16/h2-12H,1H3,(H,19,22)(H,20,21)
  • InChiKey: BRQMAAYTTNWYKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-keto-N-(1-phenylethyl)-1H-quinoline-4-carboxamide
  • SMR000301257
  • STK329156
  • T5315327
  • EU-0030813
  • 2-hydroxy-N-(1-phenylethyl)-4-quinolinecarboxamide
  • MLS000862412

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis carboxylesterase 5A 0.0146 1 1
Loa Loa (eye worm) carboxylesterase 0.0146 1 1
Echinococcus granulosus acetylcholinesterase 0.0146 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.047 0.5
Echinococcus granulosus acetylcholinesterase 0.0146 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.047 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0146 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0025 0 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0146 1 1
Onchocerca volvulus 0.0025 0 0.5
Onchocerca volvulus 0.0025 0 0.5
Mycobacterium tuberculosis Carboxylesterase LipT 0.0025 0 0.5
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0025 0 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.047 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.047 0.047
Loa Loa (eye worm) hypothetical protein 0.0146 1 1
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0025 0 0.5
Trichomonas vaginalis spcc417.12 protein, putative 0.0025 0 0.5
Onchocerca volvulus 0.0025 0 0.5
Onchocerca volvulus 0.0025 0 0.5
Brugia malayi hypothetical protein 0.003 0.047 0.047
Loa Loa (eye worm) hypothetical protein 0.0146 1 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.047 0.5
Onchocerca volvulus 0.0025 0 0.5
Brugia malayi Carboxylesterase family protein 0.0146 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0025 0 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.047 0.5
Echinococcus multilocularis acetylcholinesterase 0.0146 1 1
Echinococcus granulosus carboxylesterase 5A 0.0146 1 1
Echinococcus multilocularis acetylcholinesterase 0.0146 1 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.047 0.5
Leishmania major hypothetical protein, conserved 0.003 0.047 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.047 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2993 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8913 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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