Details of the Drug

General Information of Drug (ID: DMOLFHZ)

Drug Name
4-cyanophenylboronic acid
Synonyms
4-Cyanophenylboronic acid; 126747-14-6; (4-cyanophenyl)boronic Acid; 4-Cyanobenzeneboronic Acid; 4-cyanophenyl boronic acid; 4-cyano-phenyl-boronic acid; 4-Boronobenzonitrile; 4-(dihydroxyboranyl)benzonitrile; p-cyanophenylboronic acid; 4-cyanobenzene boronic acid; (4-cyano-phenyl)boronic acid; CEBAHYWORUOILU-UHFFFAOYSA-N; MFCD01318968; BORONIC ACID, (4-CYANOPHENYL)-; 4-Cyanophenylboronic acid, 97%; ACMC-209bbp; AC1MC0VB; 4-cyanoplienylboronic acid; 4-cyano phenylboronic acid; 4-cyano-phenylboronic acid; 4-cyanophenyl-boronic
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 146.94
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 1
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 3
Chemical Identifiers
Formula
C7H6BNO2
IUPAC Name
(4-cyanophenyl)boronic acid
Canonical SMILES
B(C1=CC=C(C=C1)C#N)(O)O
InChI
InChI=1S/C7H6BNO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,10-11H
InChIKey
CEBAHYWORUOILU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2734326
CAS Number
126747-14-6
TTD ID
D0AW4G

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.