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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL367524
CAS Number
94209-48-0
TTD ID
D0Y7NV
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
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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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.