Details of the Drug

General Information of Drug (ID: DM8NARQ)

• Drug Name: 1,3-Dibenzyl-[1,3]diazetidine-2,4-dione
• Synonyms: CHEMBL47394; 1,3-dibenzyl-1,3-diazetidine-2,4-dione; GTPL6542; BDBM50101132; compound 1 [PMID: 11425539]

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); 266.29
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C16H14N2O2
  IUPAC Name: 1,3-dibenzyl-1,3-diazetidine-2,4-dione
  Canonical SMILES: C1=CC=C(C=C1)CN2C(=O)N(C2=O)CC3=CC=CC=C3
  InChI: InChI=1S/C16H14N2O2/c19-15-17(11-13-7-3-1-4-8-13)16(20)18(15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
  InChIKey: PGIXYPNBNAOYHW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 10038543
  TTD ID: D0F2YC

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cathepsin G (CTSG)	TTQAJF1	CATG_HUMAN	Inhibitor	[1]
Cationic trypsinogen (PRSS1)	TT2WR1T	TRY1_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
Cathepsin G (CTSG)	DTT	CTSG	1.80E-01	-0.43	-1.03

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.