Molecular Details
DICL_CP_0360612
- 5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N-(1-phenylethyl)benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0360612
PubChem CID
Molecular Formula
C23H29N3O2 Molecular Weight
379.504 g/mol
Synonyms/Alias
InChI Key
JWCPUJZPEZHXHL-UHFFFAOYSA-N
InChI
InChI=1S/C23H29N3O2/c1-16(17-9-5-4-6-10-17)24-23(28)20-15-19(13-14-21(20)26(2)3)25-22(27)18-11-7-8-1...
IUPAC Name
5-(cyclopentanecarbonylamino)-2-(dimethylamino)-N-(1-phenylethyl)benzamide
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
28 30 0 0 0 0 0 0 0 0999 V2000
-4.8564 -1.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9326 0.1668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4943 1...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily B member 2
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 170 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−80 mV mV
Temperature
23–25 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
RY785 and RY796
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
28
Rotatable Bonds
6
logP
4.3723
Complexity
113.6799
TPSA (Ų)
61.44
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
3