Molecular Details
DICL_CP_0318544
- N-(2,4,6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0318544
PubChem CID
Molecular Formula
C17H23NO Molecular Weight
257.377 g/mol
Synonyms/Alias
[489402-47-3; ML213; N-mesitylbicyclo[2.2.1]heptane-2-carboxamide; ML 213; ML-213; N-(2;4;6-trimethylphenyl)bicyclo[2.2.1]heptane-2-carboxamide; CHEMBL1703636; N-(2;4;6-trimethylphenyl)bicyclo[2.2.1]h...
InChI Key
SIQGKPGBLYKQBB-UHFFFAOYSA-N
InChI
InChI=1S/C17H23NO/c1-10-6-11(2)16(12(3)7-10)18-17(19)15-9-13-4-5-14(15)8-13/h6-7,13-15H,4-5,8-9H2,1-...
IUPAC Name
N-(2,4,6-trimethylphenyl)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
42 44 0 0 0 0 0 0 0 0999 V2000
5.5945 -1.0015 -1.1206 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2261 -0.5642 -0.6868 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1250 -1.407...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 2/4
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 2100 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Flux assay (Thallium ion)
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
19
Rotatable Bonds
2
logP
3.9866
Complexity
78.2207
TPSA (Ų)
29.1
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
3