Molecular Details
DICL_CP_0332152
- (Enantiomers) N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0332152
PubChem CID
Molecular Formula
C18H23N3O2 Molecular Weight
313.401 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
AXZYARBAJJGZIL-UHFFFAOYSA-N
InChI
InChI=1S/C18H23N3O2/c1-12-20-17(23-21-12)14-8-6-13(7-9-14)16(22)19-11-15-5-4-10-18(15,2)3/h6-9,15H,4...
IUPAC Name
(Enantiomers) N-[(2,2-dimethylcyclopentyl)methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)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
46 48 0 0 0 0 0 0 0 0999 V2000
8.9937 0.5983 -0.6225 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6835 0.2984 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5613 -0.368...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 1
Uniprot Accession Number
Function
Blocker
Species
Cavia porcellus (Guinea pig)
IC50
IC50: 580 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 7.5
Holding Potential
−80 to 40 mV mV
Temperature
37 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
23
Rotatable Bonds
4
logP
3.6011
Complexity
87.9262
TPSA (Ų)
68.02
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3