Details of the Drug

General Information of Drug (ID: DMNBDGH)

• Drug Name: (Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one
• Synonyms: CHEMBL285678; (Z)-1-(benzo[d]oxazol-2-yl)octadec-9-en-1-one; SCHEMBL3964233; BDBM50100871; LS-97768; 1-Benzooxazol-2-yl-nonadec-10-en-2-one; (Z)-1-Benzooxazol-2-yl-octadec-9-en-1-one; (9Z)-1-(Benzoxazole-2-yl)-9-octadecene-1-one

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 383.6
  Logarithm of the Partition Coefficient (xlogp); 9.3
  Rotatable Bond Count (rotbonds); 16
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C25H37NO2
  IUPAC Name: (Z)-1-(1,3-benzoxazol-2-yl)octadec-9-en-1-one
  Canonical SMILES: CCCCCCCC/C=C\\CCCCCCCC(=O)C1=NC2=CC=CC=C2O1
  InChI: InChI=1S/C25H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)25-26-22-19-17-18-21-24(22)28-25/h9-10,17-19,21H,2-8,11-16,20H2,1H3/b10-9-
  InChIKey: APIPEDDJLOMNRC-KTKRTIGZSA-N
• Cross-matching ID:
  PubChem CID: 10293363
  TTD ID: D02ENI

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] Inhibitors of proteases and amide hydrolases that employ an alpha-ketoheterocycle as a key enabling functionality. Bioorg Med Chem. 2008 Feb 15;16(4):1562-95.