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
Structure
3D MOL 2D MOL
#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
ChEBI ID
CHEMBL380476
CAS Number
888703-99-9
TTD ID
D0I9NH
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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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.