Details of the Drug

General Information of Drug (ID: DMP5YFQ)

Drug Name
4-methoxyphenylboronic acid
Synonyms
4-Methoxyphenylboronic acid; 5720-07-0; (4-Methoxyphenyl)boronic acid; 4-Methoxybenzeneboronic acid; 4-Methoxyphenyl boronic acid; p-Anisylboronic acid; p-Methoxyphenylboronic acid; 45713-46-0; p-Methoxybenzeneboronic acid; (4-Methoxyphenyl)Boranediol; Benzeneboronic acid, p-methoxy-; 4-Boronoanisole; Boronic acid, p-methoxyphenyl-; 4-methoxy boronic acid; BRN 2936912; CHEMBL21427; BORONIC ACID, (4-METHOXYPHENYL)-; 4-methoxy-phenyl-boronic acid; AI3-61385; (4-METHOXYPHENYL)BORANE; MFCD00039139; 4-Methoxyphenylboronic acid, 97%
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 151.96
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C7H9BO3
IUPAC Name
(4-methoxyphenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)OC)(O)O
InChI
InChI=1S/C7H9BO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5,9-10H,1H3
InChIKey
VOAAEKKFGLPLLU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
201262
ChEBI ID
CHEMBL21427
CAS Number
5720-07-0
TTD ID
D0A4HS
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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
Carbonic anhydrase (CA) TTUNARX NOUNIPROTAC Inhibitor [1]
Carbonic anhydrase I (CA-I) TTHQPL7 CAH1_HUMAN Inhibitor [1]
Carbonic anhydrase II (CA-II) TTANPDJ CAH2_HUMAN Inhibitor [1]
Fatty acid amide hydrolase (FAAH) TTDP1UC NOUNIPROTAC Inhibitor [2]
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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
Fatty acid amide hydrolase (FAAH) DTT NO-GeName 2.65E-01 0.02 0.1
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.
2 Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase. J Med Chem. 2008 Nov 27;51(22):7057-60.