Details of the Drug

General Information of Drug (ID: DMFGQ02)

Drug Name
4,4'-Biphenyldiboronic Acid
Synonyms
44'-Biphenyldiboronic acid; SCHEMBL2460602; ZINC199832994; KB-187838; A825578; (1-borono-4-phenyl-1-cyclohexa-2,4-dienyl)boronic acid; [1-(dihydroxyboranyl)-4-phenyl-cyclohexa-2,4-dien-1-yl]boronic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 241.8
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 3
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C12H12B2O4
IUPAC Name
[4-(4-boronophenyl)phenyl]boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)C2=CC=C(C=C2)B(O)O)(O)O
InChI
InChI=1S/C12H12B2O4/c15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h1-8,15-18H
InChIKey
SLHKDOGTVUCXKX-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2734608
CAS Number
4151-80-8
UNII
OS4M710QCG
DrugBank ID
DB02627
TTD ID
D0X0KZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Staphylococcus Beta-lactamase (Stap-coc blaZ) TTHI19T BLAC_STAAU Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.