Details of the Drug

General Information of Drug (ID: DMERNSK)

Drug Name

2-phenyl-1,1-di(pyridin-3-yl)ethanol

Synonyms

CHEMBL1088805; 2-phenyl-1,1-di(pyridin-3-yl)ethanol; SCHEMBL4336663

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)

276.3

Logarithm of the Partition Coefficient (xlogp)

1.9

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C18H16N2O
IUPAC Name: 2-phenyl-1,1-dipyridin-3-ylethanol
Canonical SMILES: C1=CC=C(C=C1)CC(C2=CN=CC=C2)(C3=CN=CC=C3)O
InChI: InChI=1S/C18H16N2O/c21-18(16-8-4-10-19-13-16,17-9-5-11-20-14-17)12-15-6-2-1-3-7-15/h1-11,13-14,21H,12H2
InChIKey: ISJDJRMNDVLGMU-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Voltage-gated potassium channel Kv1.5 (KCNA5)	TTW0CMT	KCNA5_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Discovery of triarylethanolamine inhibitors of the Kv1.5 potassium channel. Bioorg Med Chem Lett. 2010 Apr 15;20(8):2493-6.