Details of the Drug

General Information of Drug (ID: DMVIFXR)

• Drug Name: Boronic acid derivative 4
• Synonyms: PMID26413912-Compound-61
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 293.1
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 4
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 3
• Chemical Identifiers:
  Formula: C17H16BNO3
  IUPAC Name: [1-oxo-2-(2-phenylethyl)isoquinolin-6-yl]boronic acid
  Canonical SMILES: B(C1=CC2=C(C=C1)C(=O)N(C=C2)CCC3=CC=CC=C3)(O)O
  InChI: InChI=1S/C17H16BNO3/c20-17-16-7-6-15(18(21)22)12-14(16)9-11-19(17)10-8-13-4-2-1-3-5-13/h1-7,9,11-12,21-22H,8,10H2
  InChIKey: MPFOFZNQFUHKAK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 46917082
  TTD ID: D07JMG

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.