General Information of the Compound
Compound ID
CP0150965
Compound Name
2-amino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
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Synonyms
2-amino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CHEMBL1090816
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Structure
Formula
C18H17N3O
Molecular Weight
291.354
Canonical SMILES
NC(c1ccccc1)C(O)(c1cccnc1)c1cccnc1
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InChI
InChI=1S/C18H17N3O/c19-17(14-6-2-1-3-7-14)18(22,15-8-4-10-20-12-15)16-9-5-11-21-13-16/h1-13,17,22H,19H2
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InChIKey
BBACDJSPZTWBIB-UHFFFAOYSA-N
Physicochemical Property
logP
2.4125
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
72.03
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
22

"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).

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PubChem ID
CID: 46885586
ChEMBL ID
CHEMBL1090816
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 = 16390 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-amino-2-phenyl-1,1-di(pyridin-3-yl)ethanol )
Drug Name 2-amino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
Target(s)
Voltage-gated potassium channel Kv1.5 (KCNA5)
Inhibitor