Details of the Drug

General Information of Drug (ID: DMLR8MS)

• Drug Name: Isoxazoline derivative 1
• Synonyms: PMID26413912-Compound-85
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 256.1
  Logarithm of the Partition Coefficient (xlogp); 2.4
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C10H10BrNO2
  IUPAC Name: (5R)-3-bromo-5-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole
  Canonical SMILES: COC1=CC=CC(=C1)[C@H]2CC(=NO2)Br
  InChI: InChI=1S/C10H10BrNO2/c1-13-8-4-2-3-7(5-8)9-6-10(11)12-14-9/h2-5,9H,6H2,1H3/t9-/m1/s1
  InChIKey: IWLKUWXPADWQAT-SECBINFHSA-N
• Cross-matching ID:
  PubChem CID: 58126505
  TTD ID: D0R3JK

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.