Details of the Drug

General Information of Drug (ID: DMK9BN0)

• Drug Name: 3,3-di(pent-4-enyl)azetidin-2-one
• Synonyms: CHEMBL487447; 3,3-di(pent-4-enyl)azetidin-2-one

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); 207.31
  Logarithm of the Partition Coefficient (xlogp); 3.1
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 1
• Chemical Identifiers:
  Formula: C13H21NO
  IUPAC Name: 3,3-bis(pent-4-enyl)azetidin-2-one
  Canonical SMILES: C=CCCCC1(CNC1=O)CCCC=C
  InChI: InChI=1S/C13H21NO/c1-3-5-7-9-13(10-8-6-4-2)11-14-12(13)15/h3-4H,1-2,5-11H2,(H,14,15)
  InChIKey: RZYCKKZEBQDDLK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44560664
  TTD ID: D01ZUN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid amide hydrolase (FAAH)	TTDP1UC	NOUNIPROTAC	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
Fatty acid amide hydrolase (FAAH)	DTT	NO-GeName	2.65E-01	0.02	0.1

References

• [1] 3-Alkenyl-2-azetidinones as fatty acid amide hydrolase inhibitors. Bioorg Med Chem Lett. 2008 Jul 15;18(14):4163-7.