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]
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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
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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.