Details of the Drug

General Information of Drug (ID: DMEG3YX)

• Drug Name: 3-Phenyl-1-propylquinazoline-2,4(1H,3H)-dione
• Synonyms: 3-Phenyl-1-propylquinazoline-2,4(1H,3H)-dione; CHEMBL479747; MolPort-002-665-959; ZINC6670445; STK789842; BDBM50251664; AKOS003747776; MCULE-9417936038

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); 280.32
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C17H16N2O2
  IUPAC Name: 3-phenyl-1-propylquinazoline-2,4-dione
  Canonical SMILES: CCCN1C2=CC=CC=C2C(=O)N(C1=O)C3=CC=CC=C3
  InChI: InChI=1S/C17H16N2O2/c1-2-12-18-15-11-7-6-10-14(15)16(20)19(17(18)21)13-8-4-3-5-9-13/h3-11H,2,12H2,1H3
  InChIKey: HDWMSIFMWUKWBC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 17067759
  TTD ID: D0E9CG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Progesterone receptor (PGR)	TTUV8G9	PRGR_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
Progesterone receptor (PGR)	DTT	PGR	3.26E-38	-3.79	-2.5

References

• [1] Progesterone receptor antagonists with a 3-phenylquinazoline-2,4-dione/2-phenylisoquinoline-1,3-dione skeleton. Bioorg Med Chem. 2008 Jul 15;16(14):7046-54.