Details of the Drug

General Information of Drug (ID: DMHNUWG)

Drug Name
1,3-Di-p-tolyl-[1,3]diazetidine-2,4-dione
Synonyms CHEMBL296771; 1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione; 1,3-Di-p-tolyl-[1,3]diazetidine-2,4-dione; AC1MRG54; SCHEMBL19214040
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) 266.29
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H14N2O2
IUPAC Name
1,3-bis(4-methylphenyl)-1,3-diazetidine-2,4-dione
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)N(C2=O)C3=CC=C(C=C3)C
InChI
InChI=1S/C16H14N2O2/c1-11-3-7-13(8-4-11)17-15(19)18(16(17)20)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKey
AZZFGWWOGRBVOV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3492365
TTD ID
D05ICF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Cationic trypsinogen (PRSS1) TT2WR1T TRY1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Inhibition of serine proteases: activity of 1,3-diazetidine-2,4-diones. Bioorg Med Chem Lett. 2001 Jul 9;11(13):1691-4.