Details of the Drug

General Information of Drug (ID: DMWHKLA)

Drug Name

4-[1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenol

Synonyms

CHEMBL357824; 4-[1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenol; SCHEMBL19158863; BDBM50121321

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

330.4

Logarithm of the Partition Coefficient (xlogp)

7

Rotatable Bond Count (rotbonds)

5

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C23H22O2
IUPAC Name: 4-[1-(4-hydroxyphenyl)-2-phenylpent-1-enyl]phenol
Canonical SMILES: CCCC(=C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O)C3=CC=CC=C3
InChI: InChI=1S/C23H22O2/c1-2-6-22(17-7-4-3-5-8-17)23(18-9-13-20(24)14-10-18)19-11-15-21(25)16-12-19/h3-5,7-16,24-25H,2,6H2,1H3
InChIKey: UTLLHWVRVATSPI-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

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.