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]
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
UNII
XQQ1T11DYK
DrugBank ID
DB03140
TTD ID
D06BUM
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.