Details of the Drug

General Information of Drug (ID: DMFAITE)

• Drug Name: 5-Biphenyl-4-yl-5-ethyl-pyrimidine-2,4,6-trione
• Synonyms: CHEMBL367524; 94209-48-0; 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[1,1'-biphenyl]-4-yl-5-ethyl-; ACMC-20lyhc; AC1M3WRE; Oprea1_691960; MLS001000776; 5-Biphenyl-4-yl-5-ethyl-pyrimidine-2,4,6-trione; NIOSH/CQ0532020; CTK3G9325; DTXSID20367041; MolPort-002-095-507; HMS2827O03; BDBM50099119; ZINC96299878; STK760260; AKOS005616072; MCULE-2406616532; Acido 5-etil 5-(p-difenilil)barbiturici; NCGC00245692-01; 5-(4-Biphenylyl)-5-ethylbarbituric acid; SMR000498104; LS-23825; M.G. 3419; CQ05320200; Barbituric acid, 5-(4-biphenylyl)-5-ethyl-

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); 308.3
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C18H16N2O3
  IUPAC Name: 5-ethyl-5-(4-phenylphenyl)-1,3-diazinane-2,4,6-trione
  Canonical SMILES: CCC1(C(=O)NC(=O)NC1=O)C2=CC=C(C=C2)C3=CC=CC=C3
  InChI: InChI=1S/C18H16N2O3/c1-2-18(15(21)19-17(23)20-16(18)22)14-10-8-13(9-11-14)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H2,19,20,21,22,23)
  InChIKey: XWZIZWWEAJZAMO-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2220392
  CAS Number: 94209-48-0
  TTD ID: D0Y7NV

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Matrix metalloproteinase-2 (MMP-2)	TTLM12X	MMP2_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-3 (MMP-3)	TTUZ2L5	MMP3_HUMAN	Inhibitor	[1]
Matrix metalloproteinase-9 (MMP-9)	TT6X50U	MMP9_HUMAN	Inhibitor	[1]

References

• [1] Novel 5,5-disubstitutedpyrimidine-2,4,6-triones as selective MMP inhibitors. Bioorg Med Chem Lett. 2001 Apr 23;11(8):969-72.