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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL5911378
TTD ID
D0ZS0I
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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.