Details of the Drug

General Information of Drug (ID: DMBVDHK)

• Drug Name: Isoxazoline derivative 3
• Synonyms: PMID26413912-Compound-87
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 356.4
  Logarithm of the Partition Coefficient (xlogp); 4.5
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C22H16N2O3
  IUPAC Name: 4-[[(5R)-5-(4-phenoxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]oxy]benzonitrile
  Canonical SMILES: C1[C@@H](ON=C1OC2=CC=C(C=C2)C#N)C3=CC=C(C=C3)OC4=CC=CC=C4
  InChI: InChI=1S/C22H16N2O3/c23-15-16-6-10-20(11-7-16)26-22-14-21(27-24-22)17-8-12-19(13-9-17)25-18-4-2-1-3-5-18/h1-13,21H,14H2/t21-/m1/s1
  InChIKey: QRYXBMPYZGEVSA-OAQYLSRUSA-N
• Cross-matching ID:
  PubChem CID: 88979391
  TTD ID: D0X8VL

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

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] Fatty acid amide hydrolase inhibitors: a patent review (2009-2014).Expert Opin Ther Pat. 2015;25(11):1247-66.