Details of the Drug

General Information of Drug (ID: DMPWR90)

• Drug Name: 3-cyanophenylboronic acid
• Synonyms: 3-Cyanophenylboronic acid; 150255-96-2; (3-cyanophenyl)boronic Acid; 3-Cyanobenzeneboronic Acid; 3-Boronobenzonitrile; 3-(dihydroxyboranyl)benzonitrile; 3-cyanophenyl boronic acid; 3-cyanobenzene boronic acid; 3-cyano-phenyl-boronic acid; Boronic acid, B-(3-cyanophenyl)-; MFCD01318967; BORONIC ACID, (3-CYANOPHENYL)-; PubChem1804; Phenylboronic Acid, 4; m-cyanophenyl boronic acid; 3-cyano-phenylboronic acid; 3-cyano phenylboronic acid; 3-cyanophenyl-boronic acid; 3-Cyanophenylboronic acid; 3-Cyanophenylboronic acid,

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #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: (3-cyanophenyl)boronic acid
  Canonical SMILES: B(C1=CC(=CC=C1)C#N)(O)O
  InChI: InChI=1S/C7H6BNO2/c9-5-6-2-1-3-7(4-6)8(10)11/h1-4,10-11H
  InChIKey: XDBHWPLGGBLUHH-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2734325
  CAS Number: 150255-96-2
  TTD ID: D0D8OR

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 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

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.