Details of the Drug

General Information of Drug (ID: DM28XTE)

Drug Name
2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one
Synonyms
CHEMBL180336; 2-(furan-2-yl)-3-phenethylquinazolin-4-one; AC1LEB94; 2-Furan-2-yl-3-phenethyl-3H-quinazolin-4-one; Oprea1_070906; 2-(2-furyl)-3-(2-phenylethyl)-4(3H)-quinazolinone; ZINC49416; NPS-53574; BDBM50162542; STK674065; AKOS005593239; MCULE-4160039246; ST008066; J3.621.250K; 2-(2-furyl)-3-phenethyl-4(3H)-quinazolinone; AG-205/11559428; SR-01000416527; SR-01000416527-1; 2-(2-furyl)-3-(2-phenylethyl)-3-hydroquinazolin-4-one; 2-(furan-2-yl)-3-(2-phenylethyl)quinazolin-4(3H)-one; A1715/0073151
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) 316.4
Logarithm of the Partition Coefficient (xlogp) 3.9
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H16N2O2
IUPAC Name
2-(furan-2-yl)-3-(2-phenylethyl)quinazolin-4-one
Canonical SMILES
C1=CC=C(C=C1)CCN2C(=NC3=CC=CC=C3C2=O)C4=CC=CO4
InChI
InChI=1S/C20H16N2O2/c23-20-16-9-4-5-10-17(16)21-19(18-11-6-14-24-18)22(20)13-12-15-7-2-1-3-8-15/h1-11,14H,12-13H2
InChIKey
ZFIMKOHGGKYLGR-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
683379
ChEBI ID
CHEMBL180336
TTD ID
D02BCM
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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 Design, new synthesis, and calcilytic activity of substituted 3H-pyrimidin-4-ones. Bioorg Med Chem Lett. 2005 May 16;15(10):2537-40.