Details of the Drug

General Information of Drug (ID: DMS5AWP)

• Drug Name: (+/-)-3-allyl-1-pent-4-enoylazetidin-2-one
• Synonyms: CHEMBL487448; (+/-)-3-allyl-1-pent-4-enoylazetidin-2-one; 1-(4'-pentenoyl)-3-(2'-propenyl)-2-azetidinone; BDBM50243198

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); 193.24
  Logarithm of the Partition Coefficient (xlogp); 1.4
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 2
• Chemical Identifiers:
  Formula: C11H15NO2
  IUPAC Name: 1-pent-4-enoyl-3-prop-2-enylazetidin-2-one
  Canonical SMILES: C=CCCC(=O)N1CC(C1=O)CC=C
  InChI: InChI=1S/C11H15NO2/c1-3-5-7-10(13)12-8-9(6-4-2)11(12)14/h3-4,9H,1-2,5-8H2
  InChIKey: QVTWEMBUZOBMIJ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44560665
  TTD ID: D01IGL

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.