Details of the Drug

General Information of Drug (ID: DM0INZX)

Drug Name

4-Fluoro-1,1':4',1''-terphenyl-3,3''-diol

Synonyms

CHEMBL570102; BDBM50299654

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): 0

Molecular Weight (mw)

280.3

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H13FO2
IUPAC Name: 2-fluoro-5-[4-(3-hydroxyphenyl)phenyl]phenol
Canonical SMILES: C1=CC(=CC(=C1)O)C2=CC=C(C=C2)C3=CC(=C(C=C3)F)O
InChI: InChI=1S/C18H13FO2/c19-17-9-8-15(11-18(17)21)13-6-4-12(5-7-13)14-2-1-3-16(20)10-14/h1-11,20-21H
InChIKey: MCDQJOWWXZILHP-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estradiol 17 beta-dehydrogenase 1 (17-beta-HSD1)	TTIWB6L	DHB1_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	New insights into the SAR and binding modes of bis(hydroxyphenyl)thiophenes and -benzenes: influence of additional substituents on 17beta-hydroxyst... J Med Chem. 2009 Nov 12;52(21):6724-43.