Details of the Drug

General Information of Drug (ID: DM8KON3)

• Drug Name: 5-hydroxy-2-(4-aminophenyl)benzofuran
• Synonyms: CHEMBL380476; 5-hydroxy-2-(4-aminophenyl)benzofuran; CTK7D7241; ZINC13686340; BDBM50185949; 2-(4-Amino-phenyl)-benzofuran-5-ol

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 225.24
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C14H11NO2
  IUPAC Name: 2-(4-aminophenyl)-1-benzofuran-5-ol
  Canonical SMILES: C1=CC(=CC=C1C2=CC3=C(O2)C=CC(=C3)O)N
  InChI: InChI=1S/C14H11NO2/c15-11-3-1-9(2-4-11)14-8-10-7-12(16)5-6-13(10)17-14/h1-8,16H,15H2
  InChIKey: JDGXRZSZWVUFMN-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11499570
  CAS Number: 888703-99-9
  TTD ID: D0I9NH

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Amyloid beta A4 protein (APP)	TTE4KHA	A4_HUMAN	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
Amyloid beta A4 protein (APP)	DTT	APP	1.60E-02	-0.07	-0.31

References

• [1] Novel benzofuran derivatives for PET imaging of beta-amyloid plaques in Alzheimer's disease brains. J Med Chem. 2006 May 4;49(9):2725-30.