Detailed information for compound 876968

Basic information

Technical information
  • TDR Targets ID: 876968
  • Name: [2-[(E)-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]p henyl] acetate
  • MW: 306.315 | Formula: C18H14N2O3
  • H donors: 1 H acceptors: 4 LogP: 3.58 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Oc1ccccc1C=Cc1nc(O)c2c(n1)cccc2
  • InChi: 1S/C18H14N2O3/c1-12(21)23-16-9-5-2-6-13(16)10-11-17-19-15-8-4-3-7-14(15)18(22)20-17/h2-11H,1H3,(H,19,20,22)/b11-10+
  • InChiKey: LJZKBSPEMLUGJR-ZHACJKMWSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • [2-[(E)-2-(4-oxo-1H-quinazolin-2-yl)vinyl]phenyl] acetate
  • acetic acid [2-[(E)-2-(4-oxo-1H-quinazolin-2-yl)vinyl]phenyl] ester
  • acetic acid [2-[(E)-2-(4-keto-1H-quinazolin-2-yl)vinyl]phenyl] ester
  • [2-[(E)-2-(4-oxo-1H-quinazolin-2-yl)ethenyl]phenyl] ethanoate
  • ZINC04426876

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
Loa Loa (eye worm) hypothetical protein 0.0124 0.0445 0.0445
Brugia malayi Fibronectin type III domain containing protein 0.009 0.0096 0.0096
Schistosoma mansoni hypothetical protein 0.0124 0.0445 0.5187
Brugia malayi Immunoglobulin I-set domain containing protein 0.009 0.0096 0.0096
Onchocerca volvulus 0.0146 0.0657 1
Loa Loa (eye worm) hypothetical protein 0.0124 0.0445 0.0445
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0091 0.0111 0.0111
Echinococcus multilocularis roundabout 2 0.009 0.0096 0.0096
Loa Loa (eye worm) TK protein kinase 0.1077 1 1
Schistosoma mansoni camp-specific 35-cyclic phosphodiesterase 0.0091 0.0111 0.023
Echinococcus multilocularis tyrosine protein kinase 0.1077 1 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0092 0.0118 0.0118
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.0091 0.0111 0.0111
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0157 0.0769 1
Echinococcus granulosus roundabout 2 0.009 0.0096 0.0096
Loa Loa (eye worm) hypothetical protein 0.0124 0.0445 0.0445
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0157 0.0769 1
Loa Loa (eye worm) TK/ALK protein kinase 0.1062 0.9856 0.9856
Loa Loa (eye worm) hypothetical protein 0.0091 0.0111 0.0111
Loa Loa (eye worm) hypothetical protein 0.009 0.0096 0.0096
Echinococcus granulosus MAM 0.0124 0.0445 0.0445
Loa Loa (eye worm) hypothetical protein 0.009 0.0096 0.0096
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0157 0.0769 0.0769
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0157 0.0769 0.5
Loa Loa (eye worm) hypothetical protein 0.0157 0.0769 0.0769
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0157 0.0769 1
Loa Loa (eye worm) hypothetical protein 0.1053 0.9766 0.9766
Brugia malayi Protein kinase domain containing protein 0.1063 0.986 0.986
Echinococcus granulosus tyrosine protein kinase 0.1077 1 1
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0157 0.0769 0.0769
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0091 0.0111 0.0111
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0157 0.0769 1
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.0091 0.0111 0.0111
Schistosoma mansoni hypothetical protein 0.0124 0.0445 0.5187
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0157 0.0769 0.0769
Loa Loa (eye worm) hypothetical protein 0.0914 0.8373 0.8373
Brugia malayi hypothetical protein 0.0124 0.0445 0.0445
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0092 0.0118 0.0118
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0157 0.0769 0.5
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0157 0.0769 0.0769
Brugia malayi hypothetical protein 0.009 0.0096 0.0096
Giardia lamblia Rab geranylgeranyltransferase 0.0157 0.0769 1
Echinococcus multilocularis MAM 0.0124 0.0445 0.0445
Toxoplasma gondii hypothetical protein 0.0116 0.0361 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0096 0.0096
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0157 0.0769 0.5

Activities

No activities found for this compound.

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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