General Information of the Compound
Compound ID
CP0045797
Compound Name
2-morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
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Synonyms
2-morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
CHEMBL1090794
SCHEMBL1240366
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Structure
Formula
C22H23N3O2
Molecular Weight
361.445
Canonical SMILES
OC(C(N1CCOCC1)c1ccccc1)(c1cccnc1)c1cccnc1
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InChI
InChI=1S/C22H23N3O2/c26-22(19-8-4-10-23-16-19,20-9-5-11-24-17-20)21(18-6-2-1-3-7-18)25-12-14-27-15-13-25/h1-11,16-17,21,26H,12-15H2
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InChIKey
WPLZJOHYEBBPRT-UHFFFAOYSA-N
Physicochemical Property
logP
2.786
Rotatable Bonds
5
Heavy Atom Count
27
Polar Areas
58.48
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
27

"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: 11710246
SID: 16815084
ChEMBL ID
CHEMBL1090794
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 = 256 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol )
Drug Name 2-morpholino-2-phenyl-1,1-di(pyridin-3-yl)ethanol
Target(s)
Voltage-gated potassium channel Kv1.5 (KCNA5)
Inhibitor