Details of the Drug

General Information of Drug (ID: DMC1YR5)

• Drug Name: US9493490, C
• Synonyms: US9493490, Example 3; BDBM258594; US9493490, C; US9493490, 6-(4-(1-aminoethyl)-2-fluorophenoxy)benzo[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: 1-[3-fluoro-4-[(1-hydroxy-3H-2,1-benzoxaborol-6-yl)oxy]phenyl]ethanamine
  Canonical SMILES: B1(C2=C(CO1)C=CC(=C2)OC3=C(C=C(C=C3)C(C)N)F)O
  InChI: InChI=1S/C15H15BFNO3/c1-9(18)10-3-5-15(14(17)6-10)21-12-4-2-11-8-20-16(19)13(11)7-12/h2-7,9,19H,8,18H2,1H3
  InChIKey: AKFFDQJZYBSJJA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90646682
  TTD ID: D0YB5B

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.