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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL5878403
TTD ID
D0YB5B
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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]
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References

1 Boron-containing small molecules. US9493490.