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
• #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
  TTD ID: D02BCM

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 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

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.