Detailed information for compound 838933

Basic information

Technical information
  • TDR Targets ID: 838933
  • Name: 2-ethyl-3-naphthalen-2-ylquinazolin-4-one
  • MW: 300.354 | Formula: C20H16N2O
  • H donors: 0 H acceptors: 1 LogP: 4.15 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nc2ccccc2c(=O)n1c1ccc2c(c1)cccc2
  • InChi: 1S/C20H16N2O/c1-2-19-21-18-10-6-5-9-17(18)20(23)22(19)16-12-11-14-7-3-4-8-15(14)13-16/h3-13H,2H2,1H3
  • InChiKey: XZPVFOMCNMUUGJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-ethyl-3-(2-naphthyl)quinazolin-4-one
  • 2-ethyl-3-(2-naphthyl)-4-quinazolinone
  • 2-ethyl-3-naphthalen-2-yl-quinazolin-4-one
  • EU-0040577
  • 2-Ethyl-3-naphthalen-2-yl-3H-quinazolin-4-one
  • BAS 02253963
  • BIM-0017949.P001
  • CBMicro_018135
  • Oprea1_789250
  • MLS000528978
  • SMR000121453
  • ZINC00103048

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.004 0.0057 0.0057
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0078 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.004 0.0057 0.0057
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0078 0.0078
Brugia malayi Cation transporter family protein 0.004 0.0057 0.0057
Loa Loa (eye worm) LGC-31 protein 0.004 0.0057 0.0057
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0078 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.0078 0.0078
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0078 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0078 0.5
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.004 0.0057 0.0057
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.006 0.0178 0.0178
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.004 0.0057 0.0057
Brugia malayi Cation transporter family protein 0.004 0.0057 0.0057
Leishmania major glutathione-S-transferase/glutaredoxin, putative 0.1698 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0078 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.0043 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Trichomonas vaginalis esterase, putative 0.0043 0.0078 0.5
Brugia malayi beta-lactamase family protein 0.0043 0.0078 0.0078
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.004 0.0057 0.0057
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0078 1
Onchocerca volvulus 0.0043 0.0078 0.0021
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0178 0.0178
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.004 0.0057 0.0057
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0078 0.0078
Leishmania major hypothetical protein, conserved 0.0043 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0043 0.0078 0.0078
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0078 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0078 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.004 0.0057 0.0057
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0064 0.0064
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Mycobacterium ulcerans lipase LipD 0.0043 0.0078 0.5
Trypanosoma cruzi glutathione-S-transferase/glutaredoxin, putative 0.1698 1 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.004 0.0057 0.0057
Onchocerca volvulus 0.0043 0.0078 0.0021
Onchocerca volvulus 0.0043 0.0078 0.0021
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.004 0.0057 0.0057
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.0043 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.004 0.0057 0.0057
Mycobacterium leprae conserved hypothetical protein 0.0043 0.0078 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0078 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0178 0.0178
Schistosoma mansoni hypothetical protein 0.0041 0.0064 0.3312
Loa Loa (eye worm) ACC-1 protein 0.004 0.0057 0.0057
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.0043 0.0078 0.0078
Trypanosoma brucei Prostaglandin E synthase 0.1698 1 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0064 0.0064
Mycobacterium leprae Probable lipase LipE 0.0043 0.0078 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0078 0.0078
Mycobacterium ulcerans hypothetical protein 0.0043 0.0078 0.5
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.004 0.0057 0.0057
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Onchocerca volvulus 0.1698 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1483 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.1698 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0078 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0078 0.0078
Mycobacterium ulcerans beta-lactamase 0.0043 0.0078 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0178 0.0178
Toxoplasma gondii ABC1 family protein 0.0043 0.0078 0.0078
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0 0.5
Brugia malayi excitatory GABA receptor EXP-1A 0.004 0.0057 0.0057
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.004 0.0057 0.0057
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0078 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057
Brugia malayi beta-lactamase family protein 0.0043 0.0078 0.0078
Toxoplasma gondii prostaglandin-E synthase 0.1698 1 1
Brugia malayi Cation transporter family protein 0.004 0.0057 0.0057
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0078 0.0078
Trypanosoma cruzi glutathione-S-transferase/glutaredoxin, putative 0.1698 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0078 0.0078
Brugia malayi beta-lactamase 0.0043 0.0078 0.0078
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.004 0.0057 0.0057
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0078 0.5
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.004 0.0057 0.0057
Loa Loa (eye worm) ACC-1 protein 0.004 0.0057 0.0057
Loa Loa (eye worm) hypothetical protein 0.004 0.0057 0.0057

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 23.1093 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 Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
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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