Details of the Drug

General Information of Drug (ID: DM9FA26)

• Drug Name: Methyl 2-(7-phenylheptanoyl)oxazole-5-carboxylate
• Synonyms: CHEMBL220784; methyl 2-(7-phenylheptanoyl)oxazole-5-carboxylate; SCHEMBL3140826; Methyl 2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxylate; BIKPWTFTYRRSPI-UHFFFAOYSA-N

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); 315.4
  Logarithm of the Partition Coefficient (xlogp); 4.4
  Rotatable Bond Count (rotbonds); 10
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C18H21NO4
  IUPAC Name: methyl 2-(7-phenylheptanoyl)-1,3-oxazole-5-carboxylate
  Canonical SMILES: COC(=O)C1=CN=C(O1)C(=O)CCCCCCC2=CC=CC=C2
  InChI: InChI=1S/C18H21NO4/c1-22-18(21)16-13-19-17(23-16)15(20)12-8-3-2-5-9-14-10-6-4-7-11-14/h4,6-7,10-11,13H,2-3,5,8-9,12H2,1H3
  InChIKey: BIKPWTFTYRRSPI-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11991809
  TTD ID: D06VSA

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.