Details of the Drug

General Information of Drug (ID: DM8A2QO)

Drug Name

4-Carboxyphenylboronic Acid

Synonyms

62729-39-9; 4-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzoic acid; Benzoic acid,4-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-; SCHEMBL8083423; CTK5B5787; DTXSID00656960; ZX-AT029551; ZINC169807903; AKOS027380718; FCH2811826; AB29398

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

165.94

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

3

Hydrogen Bond Acceptor Count

4

Chemical Identifiers

Formula: C7H7BO4
IUPAC Name: 4-boronobenzoic acid
Canonical SMILES: B(C1=CC=C(C=C1)C(=O)O)(O)O
InChI: InChI=1S/C7H7BO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,11-12H,(H,9,10)
InChIKey: SIAVMDKGVRXFAX-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 312183
CAS Number: 14047-29-1
DrugBank ID: DB03140
TTD ID: D06BUM

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.