Molecular Details
DICL_CP_0313536
- N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313536
PubChem CID
Molecular Formula
C13H16N2O Molecular Weight
216.284 g/mol
Synonyms/Alias
[Oprea1_749142; N-(pyridin-2-yl)bicyclo[2.2.1]heptane-2-carboxamide; STK426868; AKOS003290223; AKOS022167898; VU0447124-1; Z183990078]
InChI Key
ICUGUWHKSGQUFZ-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N2O/c16-13(15-12-3-1-2-6-14-12)11-8-9-4-5-10(11)7-9/h1-3,6,9-11H,4-5,7-8H2,(H,14,15,1...
IUPAC Name
N-pyridin-2-ylbicyclo[2.2.1]heptane-2-carboxamide
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
32 34 0 0 0 0 0 0 0 0999 V2000
-2.5732 0.6867 -1.3584 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6639 1.1713 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8663 0.091...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 4
Uniprot Accession Number
Function
Inactive
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
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
16
Rotatable Bonds
2
logP
2.4563
Complexity
61.8047
TPSA (Ų)
41.99
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3