Detailed information for compound 75011

Basic information

Technical information
  • TDR Targets ID: 75011
  • Name: 3-(2-chlorophenyl)-2-[(E)-2-pyridin-2-ylethen yl]quinazolin-4-one
  • MW: 359.808 | Formula: C21H14ClN3O
  • H donors: 0 H acceptors: 2 LogP: 4.11 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccccc1n1c(/C=C/c2ccccn2)nc2c(c1=O)cccc2
  • InChi: 1S/C21H14ClN3O/c22-17-9-2-4-11-19(17)25-20(13-12-15-7-5-6-14-23-15)24-18-10-3-1-8-16(18)21(25)26/h1-14H/b13-12+
  • InChiKey: GFIAVWYCWQNCLS-OUKQBFOZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(2-chlorophenyl)-2-[(E)-2-(2-pyridyl)vinyl]quinazolin-4-one
  • 3-(2-chlorophenyl)-2-[(E)-2-(2-pyridyl)vinyl]-4-quinazolinone
  • 3-(2-chlorophenyl)-2-(2-pyridin-2-ylethenyl)quinazolin-4-one
  • 3-(2-chlorophenyl)-2-[2-(2-pyridyl)vinyl]quinazolin-4-one
  • 3-(2-chlorophenyl)-2-[2-(2-pyridyl)vinyl]-4-quinazolinone
  • ZINC04450431
  • STOCK4S-40443
  • 3-(2-Chloro-phenyl)-2-(2-pyridin-2-yl-vinyl)-3H-quinazolin-4-one
  • BAS 06969367

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Glutamate receptor ionotropic, AMPA Starlite/ChEMBL 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
Drosophila melanogaster Glutamate receptor IIB Glutamate receptor ionotropic, AMPA   907 aa 863 aa 27.8 %
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 Glutamate receptor ionotropic, AMPA   907 aa 948 aa 30.6 %
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 779 aa 33.4 %
Echinococcus granulosus glutamate receptor 2 Glutamate receptor ionotropic, AMPA   907 aa 875 aa 30.4 %
Drosophila melanogaster NMDA receptor 2 Glutamate receptor ionotropic, AMPA   907 aa 789 aa 22.1 %
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 809 aa 34.1 %
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 886 aa 34.2 %
Onchocerca volvulus Glutamate receptor ionotropic, AMPA   907 aa 796 aa 40.5 %
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 Glutamate receptor ionotropic, AMPA   907 aa 959 aa 30.9 %
Drosophila melanogaster Glutamate receptor IA Glutamate receptor ionotropic, AMPA   907 aa 900 aa 40.6 %
Schistosoma mansoni glutamate receptor kainate Glutamate receptor ionotropic, AMPA   907 aa 753 aa 33.2 %
Onchocerca volvulus Putative 39S ribosomal protein L45, mitochondrial Glutamate receptor ionotropic, AMPA   907 aa 799 aa 37.7 %
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 809 aa 33.6 %
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 888 aa 34.0 %
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 Glutamate receptor ionotropic, AMPA   907 aa 779 aa 33.4 %
Echinococcus multilocularis glutamate receptor 2 Glutamate receptor ionotropic, AMPA   907 aa 868 aa 30.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.004 0.019 0.0175
Echinococcus multilocularis glutamate receptor 2 0.0036 0.0124 0.0104
Echinococcus granulosus nmda type glutamate receptor 0.004 0.019 0.0175
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0036 0.0124 0.0104
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0036 0.0124 0.0104
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0036 0.0124 0.0104
Echinococcus multilocularis bifunctional protein NCOAT 0.0582 0.9367 1
Loa Loa (eye worm) hyaluronidase 0.0582 0.9367 1
Echinococcus multilocularis nmda type glutamate receptor 0.004 0.019 0.0175
Schistosoma mansoni glutamate receptor NMDA 0.0036 0.0124 0.0098
Schistosoma mansoni Hyaluronidase 0.0582 0.9367 0.9365
Brugia malayi Hyaluronidase family protein 0.0582 0.9367 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0036 0.0124 0.0104
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0029 0 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0036 0.0124 0.0104
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0029 0 0.5
Schistosoma mansoni aminopeptidase P homologue (M24 family) 0.0582 0.9367 0.9365
Chlamydia trachomatis glutamine binding protein 0.0029 0 0.5
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0029 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0247 0.37 0.3932
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0036 0.0124 0.0104
Echinococcus granulosus bifunctional protein NCOAT 0.0582 0.9367 1
Echinococcus granulosus glutamate receptor 2 0.0036 0.0124 0.0104
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0029 0 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0036 0.0124 0.0104
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0036 0.0124 0.0104
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0029 0 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 433 nM Ability to block kainate-induced 45 [Ca2+] influx through functional assay of Ionotropic glutamate receptor AMPA activity in rat cerebellar granule cells ChEMBL. 11206453
IC50 (functional) = 433 nM Ability to block kainate-induced 45 [Ca2+] influx through functional assay of Ionotropic glutamate receptor AMPA activity in rat cerebellar granule cells ChEMBL. 11206453

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

1 literature reference was collected for this gene.

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