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
  ChEBI ID: CHEMBL143399
  CAS Number: 98437-24-2
  TTD ID: D00NXA
• Drug-Molecule Activity Atlas (DMA)NEW: Click to Jump to the Detailed DMA Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE Information of This Drug

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.