Detailed information for compound 891975

Basic information

Technical information
  • TDR Targets ID: 891975
  • Name: 3-methyl-2-(phenylmethylsulfanyl)quinazolin-4 -one
  • MW: 282.36 | Formula: C16H14N2OS
  • H donors: 0 H acceptors: 1 LogP: 3.31 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=c1n(C)c(SCc2ccccc2)nc2c1cccc2
  • InChi: 1S/C16H14N2OS/c1-18-15(19)13-9-5-6-10-14(13)17-16(18)20-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
  • InChiKey: JVMIYMFTRFSBBU-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3-methyl-2-(phenylmethylthio)-4-quinazolinone
  • 2-(benzylthio)-3-methyl-quinazolin-4-one
  • STK088732
  • Oprea1_008124
  • ZINC00408945

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 hypothetical protein 0.0031 0.0059 0.0031
Echinococcus granulosus intermediate filament protein 0.0026 0.0043 0.0083
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0108 0.0104
Loa Loa (eye worm) hypothetical protein 0.1617 0.5092 0.5092
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0043 0.0043
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0004 0.0004
Loa Loa (eye worm) hypothetical protein 0.0067 0.0174 0.0174
Echinococcus multilocularis GPCR, family 2 0.0031 0.0059 0.0114
Schistosoma mansoni hypothetical protein 0.0031 0.0059 0.0031
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0059 0.0055
Schistosoma mansoni hypothetical protein 0.0067 0.0174 0.0255
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0043 0.0038
Loa Loa (eye worm) hypothetical protein 0.0026 0.0041 0.0041
Brugia malayi hypothetical protein 0.0228 0.0685 0.0681
Schistosoma mansoni hypothetical protein 0.0031 0.0059 0.0031
Mycobacterium ulcerans short chain dehydrogenase 0.027 0.0818 0.5
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0059 0.0059
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0059 0.0114
Loa Loa (eye worm) hypothetical protein 0.0031 0.0059 0.0059
Echinococcus multilocularis vesicular acetylcholine transporter 0.1642 0.5173 1
Mycobacterium tuberculosis Probable oxidoreductase 0.027 0.0818 0.5
Echinococcus multilocularis musashi 0.0026 0.0043 0.0083
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.1642 0.5173 0.5173
Echinococcus granulosus lamin 0.0026 0.0043 0.0083
Loa Loa (eye worm) hypothetical protein 0.0228 0.0685 0.0685
Onchocerca volvulus 0.0047 0.0108 0.0127
Echinococcus multilocularis lamin dm0 0.0026 0.0043 0.0083
Loa Loa (eye worm) hypothetical protein 0.0026 0.0043 0.0043
Trypanosoma brucei C-8 sterol isomerase, putative 0.3163 1 0.5
Leishmania major C-8 sterol isomerase-like protein 0.3163 1 0.5
Brugia malayi vesicular acetylcholine transporter unc-17 0.1642 0.5173 0.5171
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0043 0.0043
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.0685 0.1324
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0098 0.0272 0.0272
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.0685 0.1324
Echinococcus multilocularis lamin 0.0026 0.0043 0.0083
Schistosoma mansoni survival motor neuron protein 0.0047 0.0108 0.0127
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0059 0.0114
Schistosoma mansoni vesicular acetylcholine transporter 0.1642 0.5173 1
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0174 0.0169
Schistosoma mansoni hypothetical protein 0.0031 0.0059 0.0031
Trypanosoma cruzi C-8 sterol isomerase, putative 0.3163 1 0.5
Echinococcus granulosus lamin dm0 0.0026 0.0043 0.0083
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.1642 0.5173 1
Loa Loa (eye worm) hypothetical protein 0.0098 0.0272 0.0272
Schistosoma mansoni hypothetical protein 0.0047 0.0108 0.0127
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0059 0.0055
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0098 0.0272 0.0268
Brugia malayi Calcitonin receptor-like protein seb-1 0.0098 0.0272 0.0268
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0059 0.0114
Loa Loa (eye worm) hypothetical protein 0.3163 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0059 0.0114
Brugia malayi intermediate filament protein 0.0026 0.0043 0.0038
Echinococcus granulosus GPCR family 2 0.0031 0.0059 0.0114
Echinococcus granulosus vesicular acetylcholine transporter 0.1642 0.5173 1

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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