Detailed information for compound 1538654

Basic information

Technical information
  • TDR Targets ID: 1538654
  • Name: 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-ox oethyl]-4-phenylquinazolin-2-one
  • MW: 454.52 | Formula: C27H26N4O3
  • H donors: 0 H acceptors: 2 LogP: 3.95 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N1CCN(CC1)C(=O)Cn1c(=O)nc(c2c1cccc2)c1ccccc1
  • InChi: 1S/C27H26N4O3/c1-34-24-14-8-7-13-23(24)29-15-17-30(18-16-29)25(32)19-31-22-12-6-5-11-21(22)26(28-27(31)33)20-9-3-2-4-10-20/h2-14H,15-19H2,1H3
  • InChiKey: BMNXSUGBSCGKAA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-4-phenyl-quinazolin-2-one
  • 1-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-4-phenyl-2-quinazolinone
  • 1-[2-keto-2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-4-phenyl-quinazolin-2-one
  • G515-0085
  • NCGC00131685-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens parathyroid hormone 1 receptor Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K04588 secretin receptor, putative Get druggable targets OG5_139196 All targets in OG5_139196
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
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
Giardia lamblia Kinase, PLK 0.0389 1 0.5
Trypanosoma cruzi polo-like protein kinase, putative 0.0389 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0207 0.4667 0.438
Loa Loa (eye worm) hypothetical protein 0.0075 0.0775 0.0277
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0389 1 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2815 0.2427
Schistosoma mansoni kinase 0.0198 0.4388 0.4085
Toxoplasma gondii LsmAD domain-containing protein 0.0075 0.0775 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0389 1 1
Brugia malayi hypothetical protein 0.0075 0.0775 0.0775
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0066 0.0512 0.0512
Brugia malayi MH2 domain containing protein 0.0144 0.2815 0.2815
Echinococcus granulosus tar DNA binding protein 0.0316 0.7867 0.7752
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0389 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0075 0.0775 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0389 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0389 1 1
Onchocerca volvulus Serine\/threonine kinase homolog 0.0389 1 0.5
Entamoeba histolytica serine/threonine protein kinase, putative 0.0389 1 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0389 1 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2815 0.2427
Loa Loa (eye worm) hypothetical protein 0.0207 0.4667 0.438
Schistosoma mansoni serine/threonine protein kinase 0.0389 1 1
Brugia malayi RNA binding protein 0.0316 0.7867 0.7867
Brugia malayi Latrophilin receptor protein 2 0.0066 0.0512 0.0512
Schistosoma mansoni tar DNA-binding protein 0.0316 0.7867 0.7752
Loa Loa (eye worm) TAR-binding protein 0.0316 0.7867 0.7752
Trichomonas vaginalis CAMK family protein kinase 0.0389 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0389 1 1
Brugia malayi latrophilin 2 splice variant baaae 0.0142 0.2744 0.2744
Brugia malayi Calcitonin receptor-like protein seb-1 0.0207 0.4667 0.4667
Schistosoma mansoni tar DNA-binding protein 0.0316 0.7867 0.7752
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0316 0.7867 0.7752
Trypanosoma cruzi polo-like protein kinase, putative 0.0389 1 1
Schistosoma mansoni tar DNA-binding protein 0.0316 0.7867 0.7752
Schistosoma mansoni tar DNA-binding protein 0.0316 0.7867 0.7752
Schistosoma mansoni hypothetical protein 0.0142 0.2744 0.2353
Plasmodium vivax ataxin-2 like protein, putative 0.0075 0.0775 0.5
Schistosoma mansoni tar DNA-binding protein 0.0316 0.7867 0.7752
Trichomonas vaginalis CAMK family protein kinase 0.0389 1 1
Brugia malayi TAR-binding protein 0.0316 0.7867 0.7867
Trypanosoma brucei polo-like protein kinase 0.0389 1 1
Loa Loa (eye worm) hypothetical protein 0.0142 0.2744 0.2353
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0389 1 1
Loa Loa (eye worm) RNA binding protein 0.0316 0.7867 0.7752
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0389 1 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0075 0.0775 0.5
Echinococcus multilocularis tar DNA binding protein 0.0316 0.7867 0.7752
Brugia malayi RNA recognition motif domain containing protein 0.0316 0.7867 0.7867
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0207 0.4667 0.4667

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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

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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