General Information of the Compound
Compound ID
CP0442224
Compound Name
N-[3-(2,6-dimethylpiperidin-1-yl)propyl]-2,2-diphenylacetamide
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Synonyms
150034-24-5
BDBM50043993
CHEMBL282833
CTK8E7452
J-008654
N-[3-(2,6-Dimethyl-piperidin-1-yl)-propyl]-2,2-diphenyl-acetamide
PD-85639
RT-014971
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Structure
Formula
C24H32N2O
Molecular Weight
364.533
Canonical SMILES
CC1CCCC(C)N1CCCNC(=O)C(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H32N2O/c1-19-11-9-12-20(2)26(19)18-10-17-25-24(27)23(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h3-8,13-16,19-20,23H,9-12,17-18H2,1-2H3,(H,25,27)
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InChIKey
BPZBEIHSHWNWTE-UHFFFAOYSA-N
Physicochemical Property
logP
4.5877
Rotatable Bonds
7
Heavy Atom Count
27
Polar Areas
32.34
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 9950970
SID: 14926168
ChEMBL ID
CHEMBL282833
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: PT04059, Sodium channel protein type 2 subunit alpha
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 2700 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( PD-85639 )
Drug Name PD-85639
Target(s)
Voltage-gated sodium channel alpha Nav1.5 (SCN5A)
 Target Info 
Inhibitor
Voltage-gated sodium channel alpha Nav1.3 (SCN3A)
 Target Info 
Inhibitor