Molecular Details
DICL_CP_0314857
- N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314857
PubChem CID
Molecular Formula
C15H19NO Molecular Weight
229.323 g/mol
Synonyms/Alias
[N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide; Oprea1_706825; STK374109; AKOS003290314; AKOS022073695]
InChI Key
RSWKFXLPMLGHIL-UHFFFAOYSA-N
InChI
InChI=1S/C15H19NO/c1-10-4-2-3-5-14(10)16-15(17)13-9-11-6-7-12(13)8-11/h2-5,11-13H,6-9H2,1H3,(H,16,17...
IUPAC Name
N-(2-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CAS Number
489402-47-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
17 19 0 0 0 0 0 0 0 0999 V2000
1.5757 1.9714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5705 0.8487 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0401 1...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 4
Uniprot Accession Number
Function
Opener
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 3240 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−90 mV mV
Temperature
22−23 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
2
logP
3.3697
Complexity
68.7467
TPSA (Ų)
29.1
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
3