General Information of the Compound
Compound ID
CP0150964
Compound Name
3-methyl-2-morpholino-1,1-diphenylbutan-1-ol
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Synonyms
3-methyl-2-morpholino-1,1-diphenylbutan-1-ol
CHEMBL1090793
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Structure
Formula
C21H27NO2
Molecular Weight
325.452
Canonical SMILES
CC(C)C(N1CCOCC1)C(O)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C21H27NO2/c1-17(2)20(22-13-15-24-16-14-22)21(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-12,17,20,23H,13-16H2,1-2H3
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InChIKey
DKXSPARARMBTSS-UHFFFAOYSA-N
Physicochemical Property
logP
3.2793
Rotatable Bonds
5
Heavy Atom Count
24
Polar Areas
32.7
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 46885515
ChEMBL ID
CHEMBL1090793
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 = 3242 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 3-methyl-2-morpholino-1,1-diphenylbutan-1-ol )
Drug Name 3-methyl-2-morpholino-1,1-diphenylbutan-1-ol
Target(s)
Voltage-gated potassium channel Kv1.5 (KCNA5)
Inhibitor