Details of the Drug

General Information of Drug (ID: DMD5LXQ)

Drug Name
4-fluorophenylboronic acid
Synonyms
4-Fluorophenylboronic acid; 1765-93-1; 4-Fluorobenzeneboronic acid; (4-fluorophenyl)boronic acid; 4-Fluorophenyl boronic acid; (4-fluorophenyl)boranediol; p-fluorophenylboronic acid; 4-fluorophenylbornic acid; 4-Fluorophenylboric acid; (4-FLUOROPHENYL)DIHYDROXYBORON; p-fluorobenzeneboronic acid; 4-fluoro phenylboronic acid; C6H6BFO2; 4-Fluoro Phenyl Boronic Acid; CHEMBL344890; (4-fluorophenyl)dihydroxyborane; CHEBI:48661; Boronic acid, (4-fluorophenyl)-; LBUNNMJLXWQQBY-UHFFFAOYSA-N; (P-FLUOROPHENYL)BORIC 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 139.92
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C6H6BFO2
IUPAC Name
(4-fluorophenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)F)(O)O
InChI
InChI=1S/C6H6BFO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H
InChIKey
LBUNNMJLXWQQBY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
285645
ChEBI ID
CHEMBL48661
CAS Number
1765-93-1
TTD ID
D0K0YF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Fatty acid amide hydrolase (FAAH) TTDP1UC NOUNIPROTAC 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
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 Discovery of boronic acids as novel and potent inhibitors of fatty acid amide hydrolase. J Med Chem. 2008 Nov 27;51(22):7057-60.