Detailed information for compound 63919

Basic information

Technical information
  • TDR Targets ID: 63919
  • Name: 3-(2-methylphenyl)-2-(2-oxo-2-pyridin-3-yleth yl)quinazolin-4-one
  • MW: 355.389 | Formula: C22H17N3O2
  • H donors: 0 H acceptors: 3 LogP: 3.24 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cccnc1)Cc1nc2ccccc2c(=O)n1c1ccccc1C
  • InChi: 1S/C22H17N3O2/c1-15-7-2-5-11-19(15)25-21(13-20(26)16-8-6-12-23-14-16)24-18-10-4-3-9-17(18)22(25)27/h2-12,14H,13H2,1H3
  • InChiKey: AYAVLTURCNQGSH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(o-tolyl)-2-[2-oxo-2-(3-pyridyl)ethyl]quinazolin-4-one
  • 3-(o-tolyl)-2-[2-oxo-2-(3-pyridyl)ethyl]-4-quinazolinone
  • 3-(2-methylphenyl)-2-(2-oxo-2-pyridin-3-yl-ethyl)quinazolin-4-one
  • 2-[2-keto-2-(3-pyridyl)ethyl]-3-(o-tolyl)quinazolin-4-one
  • 3-(2-methylphenyl)-2-[2-oxo-2-(3-pyridyl)ethyl]quinazolin-4-one
  • 3-(2-methylphenyl)-2-[2-oxo-2-(3-pyridyl)ethyl]-4-quinazolinone
  • 2-[2-keto-2-(3-pyridyl)ethyl]-3-(2-methylphenyl)quinazolin-4-one
  • 73283-10-0
  • 2-(2-Oxo-2-(3-pyridyl)ethyl)-3-o-tolyl-4-(3H)-quinazolinone
  • 3-(2-Methylphenyl)-2-(2-oxo-2-(3-pyridinyl)ethyl)-4(3H)-quinazolinone
  • 4(3H)-Quinazolinone, 3-(2-methylphenyl)-2-(2-oxo-2-(3-pyridinyl)ethyl)-

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
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.1002 0.0759
Trichomonas vaginalis DNA polymerase eta, putative 0.0087 0.2658 0.2225
Schistosoma mansoni rotamase 0.0036 0.0904 0.0659
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.2658 1
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0036 0.0904 0.0577
Trypanosoma brucei DNA damage repair protein, putative 0.0018 0.0263 0.0909
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0875 0.3231
Loa Loa (eye worm) hypothetical protein 0.0086 0.2616 0.2349
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0263 0.0909
Entamoeba histolytica deoxycytidyl transferase, putative 0.0058 0.165 1
Brugia malayi Flap endonuclease-1 0.0028 0.0625 0.0288
Schistosoma mansoni DNA helicase recq5 0.002 0.0348 0.0087
Trypanosoma cruzi DNA polymerase kappa, putative 0.0087 0.2658 1
Schistosoma mansoni glutaminase 0.0298 1 1
Schistosoma mansoni blooms syndrome DNA helicase 0.0039 0.0995 0.0753
Echinococcus multilocularis dna polymerase eta 0.0086 0.2616 0.9817
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.19 0.7123
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0036 0.0875 0.3231
Echinococcus granulosus dna polymerase eta 0.0086 0.2616 0.9817
Schistosoma mansoni flap endonuclease-1 0.0026 0.0531 0.0275
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0028 0.0625 0.2286
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0036 0.0875 0.5301
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.0557 0.2024
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0348 0.2832
Schistosoma mansoni DNA polymerase eta 0.0086 0.2616 0.2416
Leishmania major DNA polymerase kappa, putative 0.0065 0.19 0.724
Toxoplasma gondii PPIC-type PPIASE domain-containing protein 0.0011 0.0023 0.019
Entamoeba histolytica hypothetical protein 0.0039 0.1002 0.6073
Leishmania major DNA damage repair protein, putative 0.0018 0.0263 0.0924
Trypanosoma brucei unspecified product 0.008 0.2408 0.9051
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0025 0.0513 0.4175
Trypanosoma cruzi DNA damage repair protein, putative 0.0018 0.0263 0.0909
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.0263 0.0909
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1276 0.4754
Trichomonas vaginalis DNA helicase recq1, putative 0.0049 0.1357 0.0848
Entamoeba histolytica hypothetical protein 0.0039 0.1002 0.6073
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0036 0.0875 0.3284
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0028 0.0625 0.2323
Entamoeba histolytica hypothetical protein 0.0039 0.1002 0.6073
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.2658 1
Echinococcus multilocularis expressed protein 0.0036 0.0904 0.2409
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1276 0.4754
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.0557 0.2024
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.0625 0.6745
Schistosoma mansoni hypothetical protein 0.0039 0.1002 0.0759
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1271 0.4734
Giardia lamblia Flap structure-specific endonuclease 0.0028 0.0625 0.2215
Leishmania major DNA polymerase eta, putative 0.0086 0.2616 1
Echinococcus multilocularis flap endonuclease 1 0.0028 0.0625 0.1202
Mycobacterium ulcerans DNA polymerase IV 0.0087 0.2658 0.246
Echinococcus granulosus expressed protein 0.0036 0.0904 0.2409
Giardia lamblia DINP protein human, muc B family 0.0065 0.19 1
Trypanosoma brucei chrX additional, unordered contigs 0.0018 0.0263 0.0909
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1271 0.4734
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0033 0.0787 0.6405
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.2658 1
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0263 0.0909
Brugia malayi hypothetical protein 0.0039 0.1002 0.0678
Schistosoma mansoni terminal deoxycytidyl transferase 0.0058 0.165 0.1425
Brugia malayi ImpB/MucB/SamB family protein 0.0058 0.165 0.1349
Brugia malayi polk-prov protein 0.0047 0.1271 0.0956
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0046 0.1228 1
Trypanosoma brucei unspecified product 0.004 0.1026 0.3805
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.0625 0.0288
Plasmodium falciparum flap endonuclease 1 0.0028 0.0625 0.4096
Trichomonas vaginalis rotamase, putative 0.0036 0.0904 0.0368
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0018 0.0263 0.2139
Trypanosoma brucei DNA polymerase eta, putative 0.0086 0.2616 0.9839
Echinococcus multilocularis dna polymerase kappa 0.0087 0.2658 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0087 0.2658 1
Trichomonas vaginalis flap endonuclease-1, putative 0.0028 0.0625 0.0073
Loa Loa (eye worm) hypothetical protein 0.0047 0.1271 0.0956
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0058 0.165 0.5637
Trypanosoma cruzi DNA polymerase kappa, putative 0.0087 0.2658 1
Entamoeba histolytica Flap nuclease, putative 0.0028 0.0625 0.3791
Trichomonas vaginalis DNA helicase recq, putative 0.0049 0.1357 0.0848
Entamoeba histolytica hypothetical protein 0.0039 0.1002 0.6073
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.2658 1
Trypanosoma brucei DNA polymerase IV, putative 0.008 0.2408 0.9051
Loa Loa (eye worm) glutaminase 2 0.0298 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0086 0.2616 0.9839
Loa Loa (eye worm) glutaminase 0.0298 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.1276 0.4754
Schistosoma mansoni DNA helicase recq1 0.002 0.0348 0.0087
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0036 0.0875 0.3231
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0058 0.165 0.5637
Leishmania major DNA polymerase kappa, putative 0.0018 0.0263 0.0924
Entamoeba histolytica recQ family helicase, putative 0.0026 0.0557 0.3373
Trypanosoma cruzi DNA polymerase kappa, putative 0.0087 0.2658 1
Brugia malayi Bloom's syndrome protein homolog 0.0049 0.1357 0.1046
Trypanosoma cruzi DNA polymerase eta, putative 0.0046 0.1228 0.4574
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0028 0.0625 0.2286
Brugia malayi ImpB/MucB/SamB family protein 0.0086 0.2616 0.2349
Loa Loa (eye worm) hypothetical protein 0.015 0.4864 0.4679
Echinococcus granulosus flap endonuclease 1 0.0028 0.0625 0.1202
Loa Loa (eye worm) RecQ helicase 0.0049 0.1357 0.1046
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0348 0.2832
Mycobacterium ulcerans glutaminase 0.0298 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0087 0.2658 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0065 0.19 1
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.0011 0.0023 0.5
Echinococcus multilocularis bloom syndrome protein 0.0049 0.1357 0.4369
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0043 0.1148 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0036 0.0904 0.0577
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0904 0.0368
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.2658 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.2658 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0033 0.0801 1
Trichomonas vaginalis rotamase, putative 0.0036 0.0875 0.0337
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0026 0.0557 0.2057
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.1002 0.2832
Trypanosoma brucei unspecified product 0.004 0.1026 0.3805
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.2658 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.1002 0.2832
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0087 0.2658 0.2225
Echinococcus granulosus dna polymerase kappa 0.0087 0.2658 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.2658 1
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.0263 0.0909
Trichomonas vaginalis glutaminase, putative 0.0298 1 1
Trypanosoma brucei DNA polymerase IV, putative 0.0087 0.2658 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0087 0.2658 1
Trypanosoma cruzi DNA damage repair protein, putative 0.0018 0.0263 0.0909
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0058 0.165 0.1349
Leishmania major DNA polymerase eta, putative 0.0046 0.1228 0.4648
Trypanosoma brucei DNA damage repair protein, putative 0.0018 0.0263 0.0909
Echinococcus granulosus bloom syndrome protein 0.0049 0.1357 0.4369
Toxoplasma gondii peptidylprolyl isomerase 0.0036 0.0875 0.7121
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0065 0.19 0.724
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0058 0.165 0.1425
Mycobacterium ulcerans DNA polymerase IV 0.0087 0.2658 0.246
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0348 0.0961
Giardia lamblia Sgs1 DNA helicase, putative 0.002 0.0348 0.052
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.0625 0.5092

Activities

Activity type Activity value Assay description Source Reference
Activity (ADMET) Rotorod test was used to evaluate neurotoxicity in mice. Values are reported after 0.5 h; - denotes no activity or toxicity observed at 300 mg/kg. ChEMBL. 2296016
Activity (functional) Anticonvulsant activity was determined in Subcutaneous metrazole (scMet) test 0.5 h after administration of 300 mg/kg; + denotes active at 300 mg/kg ChEMBL. 2296016
Activity (ADMET) Rotorod test was used to evaluate neurotoxicity in mice. Values are reported after 4.0 h; - denotes no activity or toxicity observed at 300 mg/kg. ChEMBL. 2296016
Activity (functional) Anticonvulsant activity was determined in maximal electroshock seizure test 0.5 h after administration of 300 mg/kg; - denotes no activity or toxicityobserved at 300 mg/kg. ChEMBL. 2296016
Activity (functional) Anticonvulsant activity was determined in maximal electroshock seizure test 4.0 h after administration of 300 mg/kg; - denotes no activity or toxicityobserved at 300 mg/kg. ChEMBL. 2296016
Activity (functional) Subcutaneous metrazole (scMet) test was done,4.0 h after administration; - denotes no activity or toxicity observed at 300 mg/kg. ChEMBL. 2296016
Activity (functional) NT 0 Anticonvulsant activity was determined in maximal electroshock seizure test 0.5 h after administration of 300 mg/kg; - denotes no activity or toxicityobserved at 300 mg/kg. ChEMBL. 2296016
Activity (functional) NT 0 Anticonvulsant activity was determined in maximal electroshock seizure test 4.0 h after administration of 300 mg/kg; - denotes no activity or toxicityobserved at 300 mg/kg. ChEMBL. 2296016
Activity (functional) 0 Anticonvulsant activity was determined in Subcutaneous metrazole (scMet) test 0.5 h after administration of 300 mg/kg; + denotes active at 300 mg/kg ChEMBL. 2296016
Activity (functional) NT 0 Subcutaneous metrazole (scMet) test was done,4.0 h after administration; - denotes no activity or toxicity observed at 300 mg/kg. ChEMBL. 2296016
Activity (ADMET) NT 0 Rotorod test was used to evaluate neurotoxicity in mice. Values are reported after 0.5 h; - denotes no activity or toxicity observed at 300 mg/kg. ChEMBL. 2296016
Activity (ADMET) NT 0 Rotorod test was used to evaluate neurotoxicity in mice. Values are reported after 4.0 h; - denotes no activity or toxicity observed at 300 mg/kg. ChEMBL. 2296016

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.