Detailed information for compound 1446546

Basic information

Technical information
  • TDR Targets ID: 1446546
  • Name: 6-(difluoromethylsulfanyl)-4-phenyl-1H-quinaz olin-2-one
  • MW: 304.315 | Formula: C15H10F2N2OS
  • H donors: 1 H acceptors: 3 LogP: 4.64 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(Sc1ccc2c(c1)c(nc(n2)O)c1ccccc1)F
  • InChi: 1S/C15H10F2N2OS/c16-14(17)21-10-6-7-12-11(8-10)13(19-15(20)18-12)9-4-2-1-3-5-9/h1-8,14H,(H,18,19,20)
  • InChiKey: OJZOQFOCMUIHOG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-(difluoromethylthio)-4-phenyl-1H-quinazolin-2-one
  • 64820-49-1
  • ZINC01849436
  • 2(1H)-Quinazolinone, 6-((difluoromethyl)thio)-4-phenyl-
  • 5-25-02-00215 (Beilstein Handbook Reference)
  • 6-((Difluoromethyl)thio)-4-phenyl-2(1H)-quinazolinone
  • BRN 0685257
  • 6-[(difluoromethyl)thio]-4-phenyl-2(1H)-quinazolinone
  • MLS001000803
  • SMR000498478

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0159 0.942 0.8604
Schistosoma mansoni hypothetical protein 0.0114 0.5843 0.5843
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0166 1 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0823 0.0823
Trypanosoma cruzi ion transport protein, putative 0.0097 0.4442 0.5
Leishmania major ion transport protein-like protein 0.0097 0.4442 0.5
Loa Loa (eye worm) hypothetical protein 0.0057 0.1292 0.1292
Loa Loa (eye worm) hypothetical protein 0.0114 0.5843 0.5843
Trypanosoma cruzi ion transport protein, putative 0.0097 0.4442 0.5
Schistosoma mansoni calcium-activated potassium channel 0.0114 0.5843 0.5843
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.152 0.152
Loa Loa (eye worm) hypothetical protein 0.006 0.152 0.152
Echinococcus multilocularis potassium voltage gated channel protein 0.0166 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.152 0.152
Echinococcus granulosus potassium voltage gated channel protein 0.0166 1 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.152 0.152
Schistosoma mansoni voltage-gated potassium channel 0.0166 1 1
Schistosoma mansoni calcium-activated potassium channel 0.0109 0.5398 0.5398
Schistosoma mansoni voltage-gated potassium channel 0.0166 1 1
Loa Loa (eye worm) hypothetical protein 0.0166 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.5481 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 39.8107 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 75.193 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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