Details of the Drug

General Information of Drug (ID: DMW7IXL)

• Drug Name: 5-methoxy-2-(4-aminophenyl)benzofuran
• Synonyms: CHEMBL205221; 5-methoxy-2-(4-aminophenyl)benzofuran; CTK7A8117; ZINC13686334; BDBM50185946; AKOS015965959; KB-238624; 4-(5-methoxybenzo[b]furan-2-yl)phenylamine

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); 239.27
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 2
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C15H13NO2
  IUPAC Name: 4-(5-methoxy-1-benzofuran-2-yl)aniline
  Canonical SMILES: COC1=CC2=C(C=C1)OC(=C2)C3=CC=C(C=C3)N
  InChI: InChI=1S/C15H13NO2/c1-17-13-6-7-14-11(8-13)9-15(18-14)10-2-4-12(16)5-3-10/h2-9H,16H2,1H3
  InChIKey: GICMHQJTKXNMGB-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11579589
  TTD ID: D0B1CL

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.