Detailed information for compound 1811175

Basic information

Technical information
  • TDR Targets ID: 1811175
  • Name: N-[4-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihy droquinazolin-3-yl]phenyl]acetamide
  • MW: 387.431 | Formula: C23H21N3O3
  • H donors: 2 H acceptors: 2 LogP: 3.47 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)[C@@H]1Nc2ccccc2C(=O)N1c1ccc(cc1)NC(=O)C
  • InChi: 1S/C23H21N3O3/c1-15(27)24-17-9-11-18(12-10-17)26-22(16-7-13-19(29-2)14-8-16)25-21-6-4-3-5-20(21)23(26)28/h3-14,22,25H,1-2H3,(H,24,27)/t22-/m1/s1
  • InChiKey: HEDCFQVDALVJJJ-JOCHJYFZSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[(2R)-4-keto-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-3-yl]phenyl]acetamide
  • N-[4-[(2R)-2-(4-methoxyphenyl)-4-oxo-1,2-dihydroquinazolin-3-yl]phenyl]ethanamide
  • ZINC01102504

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
Trypanosoma brucei methionine aminopeptidase 2, putative 0.0328 0.6092 1
Echinococcus granulosus methionyl aminopeptidase 2 0.0328 0.6092 0.5978
Echinococcus granulosus poly ADP ribose polymerase 1 0.0454 0.9517 1
Loa Loa (eye worm) hypothetical protein 0.0346 0.6567 1
Schistosoma mansoni methionyl aminopeptidase 2 (M24 family) 0.0328 0.6092 0.4716
Onchocerca volvulus Methionine aminopeptidase 2 homolog 0.0328 0.6092 0.5
Brugia malayi WGR domain containing protein 0.0454 0.9517 1
Plasmodium falciparum methionine aminopeptidase 2 0.0328 0.6092 0.5
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0454 0.9517 1
Echinococcus multilocularis poly (adp ribose) polymerase 2 0.0249 0.3951 0.4152
Entamoeba histolytica poly(ADP-ribose) polymerase, putative 0.0454 0.9517 1
Trypanosoma brucei metallo-peptidase, Clan MG, Family M24 0.0328 0.6092 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0328 0.6092 1
Trypanosoma cruzi metallo-peptidase, Clan MG, Family M24 0.0328 0.6092 1
Loa Loa (eye worm) initiation factor 2-associated protein 0.0328 0.6092 0.8952
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0328 0.6092 0.5
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0328 0.6092 0.5
Echinococcus granulosus poly adp ribose polymerase 2 0.0249 0.3951 0.3464
Brugia malayi initiation factor 2-associated protein. 0.0328 0.6092 0.3847
Echinococcus multilocularis methionyl aminopeptidase 2 0.0328 0.6092 0.6402
Giardia lamblia Methionine aminopeptidase 0.0328 0.6092 0.5
Plasmodium vivax methionine aminopeptidase 2, putative 0.0328 0.6092 0.5
Echinococcus multilocularis poly (ADP ribose) polymerase 1 0.0454 0.9517 1
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0328 0.6092 0.5
Schistosoma mansoni poly [ADP-ribose] polymerase 0.0249 0.3951 0.1413
Loa Loa (eye worm) hypothetical protein 0.0249 0.3951 0.423
Trichomonas vaginalis Clan MG, familly M24, aminopeptidase P-like metallopeptidase 0.0328 0.6092 0.5
Leishmania major methionine aminopeptidase 2, putative 0.0328 0.6092 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 4.68 SUPPLEMENTARY: Inhibition of P-glycoprotein expressed in MDR CCRF vcr1000 cells by daunorubicin efflux assay. Same assay as CHEMBL914418 ChEMBL. No reference

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

No literature references available for this target.

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