Details of the Drug

General Information of Drug (ID: DM4BFPE)

Drug Name
4-[1-(4-hydroxyphenyl)-2-phenylvinyl]phenol
Synonyms
CHEMBL415864; 1,1-Bis(4-hydroxyphenyl)-2-phenylethylene; 4,4'-(2-Phenylethene-1,1-Diyl)diphenol; 66422-18-2; Bhpe-1,1; 4-[1-(4-hydroxyphenyl)-2-phenylvinyl]phenol; SCHEMBL641985; AC1MI565; CTK5C4724; 4-(1,2-diphenyl-vinyl)-phenol; BDBM50023749; ZINC13492380; Phenol, 4,4'-(phenylethenylidene)bis-; 1,1-bis(4-hydroxyphenyl)-2-phenylethene; 4-[1-(4-hydroxyphenyl)-2-phenylethenyl]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) 288.3
Logarithm of the Partition Coefficient (xlogp) 5.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H16O2
IUPAC Name
4-[1-(4-hydroxyphenyl)-2-phenylethenyl]phenol
Canonical SMILES
C1=CC=C(C=C1)C=C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C20H16O2/c21-18-10-6-16(7-11-18)20(14-15-4-2-1-3-5-15)17-8-12-19(22)13-9-17/h1-14,21-22H
InChIKey
CKNFKDYCAQZYBQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3017674
ChEBI ID
CHEMBL415864
CAS Number
66422-18-2
TTD ID
D07TGS
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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.