Details of the Drug

General Information of Drug (ID: DM3NUMG)

• Drug Name: 5-methoxy-2-(4-dimethylaminophenyl)benzofuran
• Synonyms: CHEMBL383116; 5-methoxy-2-(4-dimethylaminophenyl)benzofuran; ZINC13686352; BDBM50185945; AKOS015965999; KB-289042

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); 267.32
  Logarithm of the Partition Coefficient (xlogp); 4.1
  Rotatable Bond Count (rotbonds); 3
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C17H17NO2
  IUPAC Name: 4-(5-methoxy-1-benzofuran-2-yl)-N,N-dimethylaniline
  Canonical SMILES: CN(C)C1=CC=C(C=C1)C2=CC3=C(O2)C=CC(=C3)OC
  InChI: InChI=1S/C17H17NO2/c1-18(2)14-6-4-12(5-7-14)17-11-13-10-15(19-3)8-9-16(13)20-17/h4-11H,1-3H3
  InChIKey: KKKKLHNEZMGUPC-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 11673398
  TTD ID: D0R0LQ

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.