Details of the Drug

General Information of Drug (ID: DM30421)

Drug Name
4-[1-(4-hydroxyphenyl)-2-phenylhex-1-enyl]phenol
Synonyms CHEMBL356693; 4-[1-(4-hydroxyphenyl)-2-phenylhex-1-enyl]phenol
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): 1 Molecular Weight (mw) 344.4
Logarithm of the Partition Coefficient (xlogp) 7.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C24H24O2
IUPAC Name
4-[1-(4-hydroxyphenyl)-2-phenylhex-1-enyl]phenol
Canonical SMILES
CCCCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O)C3=CC=CC=C3
InChI
InChI=1S/C24H24O2/c1-2-3-9-23(18-7-5-4-6-8-18)24(19-10-14-21(25)15-11-19)20-12-16-22(26)17-13-20/h4-8,10-17,25-26H,2-3,9H2,1H3
InChIKey
LOSAKSLRALRQMY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10871661
TTD ID
D0XC3V

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]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Investigations on estrogen receptor binding. The estrogenic, antiestrogenic, and cytotoxic properties of C2-alkyl-substituted 1,1-bis(4-hydroxyphen... J Med Chem. 2002 Nov 21;45(24):5358-64.