Details of the Drug

General Information of Drug (ID: DMVSQFI)

Drug Name
3-Phenethyl-2-phenyl-3H-quinazolin-4-one
Synonyms
3-Phenethyl-2-phenyl-3H-quinazolin-4-one; CHEMBL180391; AC1LJAK1; Oprea1_440152; SCHEMBL5777984; MolPort-002-576-141; KANHEDFPOIQKTH-UHFFFAOYSA-N; ZINC546443; BDBM50162540; STL361550; 3-phenethyl-2-phenylquinazolin-4-one; AKOS003179499; MCULE-6975064033; 3-Phenethyl-2-phenylquinazoline-4(3H)-one; 2-phenyl-3-(2-phenylethyl)quinazolin-4(3H)-one
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 326.4
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C22H18N2O
IUPAC Name
2-phenyl-3-(2-phenylethyl)quinazolin-4-one
Canonical SMILES
C1=CC=C(C=C1)CCN2C(=NC3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2O/c25-22-19-13-7-8-14-20(19)23-21(18-11-5-2-6-12-18)24(22)16-15-17-9-3-1-4-10-17/h1-14H,15-16H2
InChIKey
KANHEDFPOIQKTH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
947434
TTD ID
D04HDO

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Extracellular calcium-sensing receptor (CASR) TTBUYHA CASR_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Extracellular calcium-sensing receptor (CASR) DTT CASR 5.81E-02 -0.03 -0.19
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 3H-Quinazolin-4-ones as a new calcilytic template for the potential treatment of osteoporosis. Bioorg Med Chem Lett. 2005 Mar 15;15(6):1557-60.