Details of the Drug

General Information of Drug (ID: DMJDTSN)

• Drug Name: US9493490, L
• Synonyms: US9493490, Example 11; BDBM258599; US9493490, L; US9493490, tert-butyl 2-fluoro-3-(1-hydroxy-7-methyl-1,3-dihydrobenzo[c][1,2]oxaborol-6-yloxy)benzylcarbamate
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 387.2
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 6
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 6
• Chemical Identifiers:
  Formula: C20H23BFNO5
  IUPAC Name: tert-butyl N-[[2-fluoro-3-[(1-hydroxy-7-methyl-3H-2,1-benzoxaborol-6-yl)oxy]phenyl]methyl]carbamate
  Canonical SMILES: B1(C2=C(CO1)C=CC(=C2C)OC3=CC=CC(=C3F)CNC(=O)OC(C)(C)C)O
  InChI: InChI=1S/C20H23BFNO5/c1-12-15(9-8-14-11-26-21(25)17(12)14)27-16-7-5-6-13(18(16)22)10-23-19(24)28-20(2,3)4/h5-9,25H,10-11H2,1-4H3,(H,23,24)
  InChIKey: LHNSCZROXVKHFK-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 90646685
  TTD ID: D0ZS0I

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.