Details of the Drug

General Information of Drug (ID: DMUVC25)

• Drug Name: US9493490, D
• Synonyms: US9493490, Example 4; BDBM258595; US9493490, D; US9493490, 6-(4-(aminomethyl)-2-fluorophenoxy)-7-methylbenzo[c][1,2]oxaborol-1(3H)-ol
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 287.1
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 3
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C15H15BFNO3
  IUPAC Name: [3-fluoro-4-[(1-hydroxy-7-methyl-3H-2,1-benzoxaborol-6-yl)oxy]phenyl]methanamine
  Canonical SMILES: B1(C2=C(CO1)C=CC(=C2C)OC3=C(C=C(C=C3)CN)F)O
  InChI: InChI=1S/C15H15BFNO3/c1-9-13(5-3-11-8-20-16(19)15(9)11)21-14-4-2-10(7-18)6-12(14)17/h2-6,19H,7-8,18H2,1H3
  InChIKey: ZCITXZXBLWIHHP-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90646684
  TTD ID: D0OE2R

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Beta-adrenergic receptor kinase 1 (ADRBK1)	TTAZ3MN	ARBK1_HUMAN	Inhibitor	[1]

References

• [1] Boron-containing small molecules. US9493490.