General Information of the Compound
Compound ID
CP0354694
Compound Name
2-phenyl-1,1-di(pyridin-3-yl)ethanol
    Show/Hide
Synonyms
2-phenyl-1,1-di(pyridin-3-yl)ethanol
CHEMBL1088805
SCHEMBL4336663
    Show/Hide
Structure
Formula
C18H16N2O
Molecular Weight
276.339
Canonical SMILES
OC(Cc1ccccc1)(c1cccnc1)c1cccnc1
    Show/Hide
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
    Show/Hide
InChIKey
ISJDJRMNDVLGMU-UHFFFAOYSA-N
Physicochemical Property
logP
2.9552
Rotatable Bonds
4
Heavy Atom Count
21
Polar Areas
46.01
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
21

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 46885546
ChEMBL ID
CHEMBL1088805
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02768, Potassium voltage-gated channel subfamily A member 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 7107 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-phenyl-1,1-di(pyridin-3-yl)ethanol )
Drug Name 2-phenyl-1,1-di(pyridin-3-yl)ethanol
Target(s)
Voltage-gated potassium channel Kv1.5 (KCNA5)
Inhibitor