Detailed information for compound 738555

Basic information

Technical information
  • TDR Targets ID: 738555
  • Name: N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)ac etamide
  • MW: 313.738 | Formula: C16H12ClN3O2
  • H donors: 1 H acceptors: 2 LogP: 2.42 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Cn1cnc2c(c1=O)cccc2)Nc1ccccc1Cl
  • InChi: 1S/C16H12ClN3O2/c17-12-6-2-4-8-14(12)19-15(21)9-20-10-18-13-7-3-1-5-11(13)16(20)22/h1-8,10H,9H2,(H,19,21)
  • InChiKey: PLHHDSZTZXIBKN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-chlorophenyl)-2-(4-oxo-3-quinazolinyl)acetamide
  • N-(2-chlorophenyl)-2-(4-ketoquinazolin-3-yl)acetamide
  • N-(2-chlorophenyl)-2-(4-oxoquinazolin-3-yl)ethanamide
  • ST5451878
  • CBKinase1_002182
  • CBKinase1_014582
  • Oprea1_484417
  • ZINC00106366
  • 3-Quinazolineacetamide, N-(2-chlorophenyl)-3,4-dihydro-4-oxo-
  • Oprea1_818413
  • BAS 02798542
  • N-(2-Chloro-phenyl)-2-(4-oxo-4H-quinazolin-3-yl)-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
Entamoeba histolytica hypothetical protein 0.0096 0.2536 0.8973
Trichomonas vaginalis CMGC family protein kinase 0.0093 0.2381 0.8425
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.2381 0.2381
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0103 0.2826 1
Plasmodium falciparum glycogen synthase kinase 3 0.0103 0.2826 1
Trypanosoma brucei cdc2-related kinase 3 0.0093 0.2381 0.7381
Brugia malayi Cyclin, N-terminal domain containing protein 0.0064 0.1126 0.2853
Echinococcus multilocularis cyclin B 0.0064 0.1126 0.1126
Trypanosoma cruzi cdc2-related kinase 3 0.0093 0.2381 0.7381
Giardia lamblia Kinase, CMGC GSK 0.0103 0.2826 1
Onchocerca volvulus 0.0103 0.2826 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.1126 0.1126
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0096 0.2536 0.2536
Echinococcus multilocularis cyclin dependent kinase 1 0.0093 0.2381 0.2381
Giardia lamblia Kinase, CMGC GSK 0.0103 0.2826 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0103 0.2826 0.2826
Entamoeba histolytica protein kinase domain containing protein 0.0103 0.2826 1
Trichomonas vaginalis cyclin B, putative 0.0064 0.1126 0.3985
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.027 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0093 0.2381 0.8425
Trichomonas vaginalis cyclin B, putative 0.0064 0.1126 0.3985
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0093 0.2381 0.2381
Trichomonas vaginalis CMGC family protein kinase 0.0103 0.2826 1
Trichomonas vaginalis cyclin B, putative 0.0064 0.1126 0.3985
Entamoeba histolytica protein kinase, putative 0.0096 0.2536 0.8973
Entamoeba histolytica protein kinase domain containing protein 0.0103 0.2826 1
Trichomonas vaginalis cyclins, putative 0.0064 0.1126 0.3985
Trypanosoma cruzi cdc2-related kinase 3 0.0093 0.2381 0.7381
Echinococcus granulosus cyclin dependent kinase 1 0.0093 0.2381 0.2381
Brugia malayi Protein kinase domain containing protein 0.0096 0.2536 0.6425
Loa Loa (eye worm) hypothetical protein 0.027 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0093 0.2381 0.2381
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0096 0.2536 0.8293
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0096 0.2536 0.8293
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0103 0.2826 0.2826
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0103 0.2826 0.2826
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0103 0.2826 0.2826
Brugia malayi Protein kinase domain containing protein 0.0093 0.2381 0.6032
Loa Loa (eye worm) hypothetical protein 0.009 0.2263 0.2263
Trichomonas vaginalis cyclins, putative 0.0064 0.1126 0.3985
Entamoeba histolytica protein kinase, putative 0.0096 0.2536 0.8973
Echinococcus multilocularis cyclin dependent kinase 5 0.0093 0.2381 0.2381
Trichomonas vaginalis cyclins, putative 0.0064 0.1126 0.3985
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0096 0.2536 0.8293
Echinococcus multilocularis dual specificity 0.0096 0.2536 0.2536
Trichomonas vaginalis cyclin B, putative 0.0064 0.1126 0.3985
Trypanosoma cruzi cdc2-related kinase 1 0.0093 0.2381 0.7381
Trichomonas vaginalis CMGC family protein kinase 0.0093 0.2381 0.8425
Plasmodium falciparum protein kinase 5 0.0093 0.2381 0.8425
Giardia lamblia Kinase, CMGC CDK 0.0093 0.2381 0.8425
Plasmodium vivax glycogen synthase kinase 3, putative 0.0103 0.2826 1
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0093 0.2381 0.2381
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0103 0.2826 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.3948 0.3948
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0093 0.2381 0.7381
Giardia lamblia G2/mitotic-specific cyclin B 0.0064 0.1126 0.3985
Trichomonas vaginalis cyclin A, putative 0.0064 0.1126 0.3985
Trichomonas vaginalis CMGC family protein kinase 0.0093 0.2381 0.8425
Trypanosoma brucei cdc2-related kinase 1 0.0093 0.2381 0.7381
Loa Loa (eye worm) hypothetical protein 0.0094 0.2418 0.2418
Trypanosoma brucei protein kinase, putative 0.0103 0.2826 1
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0103 0.2826 1
Giardia lamblia Kinase, CMGC CDK 0.0093 0.2381 0.8425
Echinococcus granulosus cyclin B 0.0064 0.1126 0.1126
Echinococcus multilocularis cyclin dependent kinase 1 0.0093 0.2381 0.2381
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0096 0.2536 0.8293
Entamoeba histolytica protein kinase, putative 0.0103 0.2826 1
Brugia malayi Cyclin, N-terminal domain containing protein 0.0064 0.1126 0.2853
Brugia malayi intracellular kinase 0.0103 0.2826 0.716
Loa Loa (eye worm) hypothetical protein 0.0129 0.3948 0.3948
Loa Loa (eye worm) hypothetical protein 0.0094 0.2418 0.2418
Echinococcus multilocularis cyclin dependent kinase 0.0093 0.2381 0.2381
Brugia malayi hypothetical protein 0.0129 0.3948 1
Echinococcus granulosus cyclin dependent kinase 5 0.0093 0.2381 0.2381
Echinococcus granulosus dual specificity 0.0096 0.2536 0.2536
Echinococcus multilocularis protein kinase shaggy 0.0103 0.2826 0.2826
Loa Loa (eye worm) hypothetical protein 0.0064 0.1126 0.1126
Entamoeba histolytica cyclin, putative 0.0064 0.1126 0.3985
Trichomonas vaginalis CMGC family protein kinase 0.0103 0.2826 1
Entamoeba histolytica protein kinase domain containing protein 0.0096 0.2536 0.8973
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0093 0.2381 0.2381
Trichomonas vaginalis cyclins, putative 0.0064 0.1126 0.3985
Echinococcus granulosus protein kinase shaggy 0.0103 0.2826 0.2826
Echinococcus granulosus cyclin dependent kinase 0.0093 0.2381 0.2381
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.027 1 1
Entamoeba histolytica cell division protein kinase 2, putative 0.0093 0.2381 0.8425
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0103 0.2826 0.2826
Schistosoma mansoni serine/threonine protein kinase 0.0096 0.2536 0.2536
Trypanosoma cruzi cdc2-related kinase 1 0.0093 0.2381 0.7381
Brugia malayi cell division control protein 2 homolog 0.0093 0.2381 0.6032
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.2381 0.2381
Schistosoma mansoni cyclin B 0.0064 0.1126 0.1126
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0093 0.2381 0.7381

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) Inhibition of mPGES-1 in IL-1beta-stimulated human A549 cell microsomal membranes assessed as reduction in PGE2 formation incubated for 15 mins using PGH2 substrate by RP-HPLC method ChEMBL. 26088337
Inhibition (binding) <= 0 % Inhibition of mPGES-1 derived from IL1beta and TNFalpha stimulated human HeLa cells microsomal fraction using PGH2 as substrate at 1 uM preincubated for 30 mins prior to substrate addition measured after 1 min by LC-MS/MS analysis relative to control ChEMBL. 22449023

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

2 literature references were collected for this gene.

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