Details of the Drug

General Information of Drug (ID: DMCFJIP)

• Drug Name: 3,3-diethyl-1-phenylazetidine-2,4-dione
• Synonyms: 3,3-diethyl-1-phenylazetidine-2,4-dione; CHEMBL272413; 2,4-Azetidinedione, 3,3-diethyl-1-phenyl-; 15745-94-5; 3,3-Diethyl-1-phenylazetidin-2,4-dione; AC1L3FYP; DTXSID30166264; KDXSTYUPRNLDGW-UHFFFAOYSA-N; BDBM50235613; 1-Phenyl-3,3-diethylazetidine-2,4-dione

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); 217.26
  Logarithm of the Partition Coefficient (xlogp); 2.6
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C13H15NO2
  IUPAC Name: 3,3-diethyl-1-phenylazetidine-2,4-dione
  Canonical SMILES: CCC1(C(=O)N(C1=O)C2=CC=CC=C2)CC
  InChI: InChI=1S/C13H15NO2/c1-3-13(4-2)11(15)14(12(13)16)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
  InChIKey: KDXSTYUPRNLDGW-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 139973
  CAS Number: 15745-94-5
  TTD ID: D0H8EO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neutrophil elastase (NE)	TTPLTSQ	ELNE_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
Neutrophil elastase (NE)	DTT	ELANE	2.35E-01	-0.55	-0.82

References

• [1] 4-Oxo-beta-lactams (azetidine-2,4-diones) are potent and selective inhibitors of human leukocyte elastase. J Med Chem. 2010 Jan 14;53(1):241-53.