Details of the Drug

General Information of Drug (ID: DMFCIGE)

• Drug Name: US9493490, E
• Synonyms: US9493490, Example 5; BDBM258596; US9493490, E; US9493490, 6-(4-(1-aminoethyl)-2-fluorophenoxy)-7-methylbenzo[c][1,2]oxaborol-1(3H)-ol
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 301.1
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 3
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C16H17BFNO3
  IUPAC Name: 1-[3-fluoro-4-[(1-hydroxy-7-methyl-3H-2,1-benzoxaborol-6-yl)oxy]phenyl]ethanamine
  Canonical SMILES: B1(C2=C(CO1)C=CC(=C2C)OC3=C(C=C(C=C3)C(C)N)F)O
  InChI: InChI=1S/C16H17BFNO3/c1-9-14(5-4-12-8-21-17(20)16(9)12)22-15-6-3-11(10(2)19)7-13(15)18/h3-7,10,20H,8,19H2,1-2H3
  InChIKey: LKHWQSZVOZRQIZ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 87056186
  TTD ID: D04WNI

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.