Details of the Drug

General Information of Drug (ID: DMY0I8P)

Drug Name
2-(4-Hydroxy-phenyl)-7-methoxy-benzofuran-5-ol
Synonyms CHEMBL361226; 2-(4-Hydroxy-phenyl)-7-methoxy-benzofuran-5-ol; SCHEMBL3928011; KEWMBPCQWDVBAS-UHFFFAOYSA-N
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) 256.25
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C15H12O4
IUPAC Name
2-(4-hydroxyphenyl)-7-methoxy-1-benzofuran-5-ol
Canonical SMILES
COC1=C2C(=CC(=C1)O)C=C(O2)C3=CC=C(C=C3)O
InChI
InChI=1S/C15H12O4/c1-18-14-8-12(17)6-10-7-13(19-15(10)14)9-2-4-11(16)5-3-9/h2-8,16-17H,1H3
InChIKey
KEWMBPCQWDVBAS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10286022
TTD ID
D03XEU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estrogen receptor (ESR) TTZAYWL ESR1_HUMAN Inhibitor [1]
Estrogen receptor beta (ESR2) TTOM3J0 ESR2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 7-Substituted 2-phenyl-benzofurans as ER beta selective ligands. Bioorg Med Chem Lett. 2004 Oct 4;14(19):4925-9.