Details of the Drug

General Information of Drug (ID: DM9SGBW)

• Drug Name: 7-phenyl-1-(5-phenyloxazol-2-yl)heptan-1-one
• Synonyms: CHEMBL173992; 7-phenyl-1-(5-phenyloxazol-2-yl)heptan-1-one; 7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one; BDBM50163187

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 333.4
  Logarithm of the Partition Coefficient (xlogp); 5.9
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C22H23NO2
  IUPAC Name: 7-phenyl-1-(5-phenyl-1,3-oxazol-2-yl)heptan-1-one
  Canonical SMILES: C1=CC=C(C=C1)CCCCCCC(=O)C2=NC=C(O2)C3=CC=CC=C3
  InChI: InChI=1S/C22H23NO2/c24-20(16-10-2-1-5-11-18-12-6-3-7-13-18)22-23-17-21(25-22)19-14-8-4-9-15-19/h3-4,6-9,12-15,17H,1-2,5,10-11,16H2
  InChIKey: GEHXWVPLQWJJQM-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11279040
  TTD ID: D0E0JC

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] Optimization of the central heterocycle of alpha-ketoheterocycle inhibitors of fatty acid amide hydrolase. J Med Chem. 2008 Aug 14;51(15):4392-403.