Details of the Drug

General Information of Drug (ID: DMO6XK2)

Drug Name
4-nitrophenylboronic acid
Synonyms
4-Nitrophenylboronic acid; 24067-17-2; (4-nitrophenyl)boronic Acid; 4-Nitrobenzeneboronic acid; p-nitrophenylboronic acid; 4-Nitrophenyl boronic acid; p-nitrophenyl boronic acid; 4-Nitro phenyl boronic acid; Boronic acid, (4-nitrophenyl)-; MFCD00161360; 4-Nitrophenylboronic acid, 97%; 4-Nitrophenylboronicacid; 4-Borononitrobenzene; PubChem24079; 4-nitrobenzenboronic acid; (4-nitrophenyl)boranediol; 4-nitro-phenylboronic acid; ACMC-209g8k; para-nitrophenylboronic acid; 4-nitrobenzene boronic acid; AC1MCN49; SCHEMBL5993
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 166.93
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C6H6BNO4
IUPAC Name
(4-nitrophenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)[N+](=O)[O-])(O)O
InChI
InChI=1S/C6H6BNO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,9-10H
InChIKey
NSFJAFZHYOAMHL-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2773552
CAS Number
24067-17-2
TTD ID
D0I3XN

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.