Details of the Drug

General Information of Drug (ID: DMEOS8P)

• Drug Name: 1-(oxazol-2-yl)-4-(piperidin-4-yl)butan-1-one
• Synonyms: CHEMBL270404

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); 222.28
  Logarithm of the Partition Coefficient (xlogp); 1.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C12H18N2O2
  IUPAC Name: 1-(1,3-oxazol-2-yl)-4-piperidin-4-ylbutan-1-one
  Canonical SMILES: C1CNCCC1CCCC(=O)C2=NC=CO2
  InChI: InChI=1S/C12H18N2O2/c15-11(12-14-8-9-16-12)3-1-2-10-4-6-13-7-5-10/h8-10,13H,1-7H2
  InChIKey: PKVYQZQOXHRPTR-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 44453945
  CAS Number: 938222-90-3
  TTD ID: D0D6TB

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] Novel ketooxazole based inhibitors of fatty acid amide hydrolase (FAAH). Bioorg Med Chem Lett. 2008 Mar 15;18(6):2109-13.