General Information of Drug (ID: DMJ4Z7W)

Drug Name
Styrylboronic acid
Synonyms
styrylboronic acid; 6783-05-7; (E)-Styrylboronic acid; trans-2-Phenylvinylboronic acid; E-Phenylethenylboronic acid; 2-Phenylvinylboronic Acid; [(E)-2-phenylethenyl]boronic acid; 4363-35-3; trans-Phenylvinylboronic acid; (E)-Phenylethenylboronic acid; CHEMBL559289; Trans-Beta-Styreneboronic Acid; Boronic acid, [(1E)-2-phenylethenyl]-; [(E)-styryl]boronic acid; 2-phenylethenylboronic Acid; ((E)-Styryl)boronic acid; [(E)-2-phenylvinyl]boronic acid; trans-styryl boronic acid; AC1NWBO3; (E)-phenylvinylboronic acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 147.97
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 2
Chemical Identifiers
Formula
C8H9BO2
IUPAC Name
[(E)-2-phenylethenyl]boronic acid
Canonical SMILES
B(/C=C/C1=CC=CC=C1)(O)O
InChI
InChI=1S/C8H9BO2/c10-9(11)7-6-8-4-2-1-3-5-8/h1-7,10-11H/b7-6+
InChIKey
VKIJXFIYBAYHOE-VOTSOKGWSA-N
Cross-matching ID
PubChem CID
5702628
TTD ID
D0F7QZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Carbonic anhydrase I (CA-I) TTHQPL7 CAH1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Carbonic anhydrase I (CA-I) DTT CA1 5.23E-14 -0.11 -0.41
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Carbonic anhydrase inhibitors. Inhibition of the fungal beta-carbonic anhydrases from Candida albicans and Cryptococcus neoformans with boronic acids. Bioorg Med Chem Lett. 2009 May 15;19(10):2642-5.