Details of the Drug

General Information of Drug (ID: DMQ7I06)

• Drug Name: Benzofuran-2-ylboronic acid
• Synonyms: Benzofuran-2-boronic acid; 98437-24-2; Benzo[b]furan-2-boronic acid; Benzofuran-2-ylboronic acid; 1-benzofuran-2-ylboronic acid; 2-Benzofuranboronic acid; 2-BENZOFURANYLBORONIC ACID; Benzo(b)furan-2-boronic acid; (1-benzofuran-2-yl)boronic acid; 2,3-Benzo[b]furan-2-boronic acid; Boronic acid, 2-benzofuranyl-; CHEMBL143399; MFCD00236019; Benzo[b]furan-2-boronic acid, 97%; Benzofuran-2-boronicacid; benzofurylboronic acid; PubChem1724; bezofuran boronic acid; PubChem1754; Benzofuran boronic acid; 2-Boronobenzo[b]furan

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 161.95
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 1
  Hydrogen Bond Donor Count; 2
  Hydrogen Bond Acceptor Count; 3
• Chemical Identifiers:
  Formula: C8H7BO3
  IUPAC Name: 1-benzofuran-2-ylboronic acid
  Canonical SMILES: B(C1=CC2=CC=CC=C2O1)(O)O
  InChI: InChI=1S/C8H7BO3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5,10-11H
  InChIKey: PKRRNTJIHGOMRC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 2776266
  CAS Number: 98437-24-2
  TTD ID: D00NXA

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.