Molecular Details
DICL_CP_0329917
- N'-(3,3-dimethylbutan-2-yl)-N-(2-ethoxyphenyl)-2-nitroethanimidamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0329917
PubChem CID
Molecular Formula
C16H25N3O3 Molecular Weight
307.394 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
PFESSMRIEPRWBT-UHFFFAOYSA-N
InChI
InChI=1S/C16H25N3O3/c1-6-22-14-10-8-7-9-13(14)18-15(11-19(20)21)17-12(2)16(3,4)5/h7-10,12H,6,11H2,1-...
IUPAC Name
N'-(3,3-dimethylbutan-2-yl)-N-(2-ethoxyphenyl)-2-nitroethanimidamide
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
22 22 0 0 0 0 0 0 0 0999 V2000
-2.4064 2.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9150 2.4554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0306 1...
Experimental Data
Activity Data
Target Ion Channel
Calcium-activated potassium channel subunit beta
Uniprot Accession Number
Function
Opener
Species
Sus scrofa (Pig)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 41.34 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Binding assay ([125I] A312110)
Test Species
Guinea Pig Heart
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
22
Rotatable Bonds
6
logP
3.4162
Complexity
88.6201
TPSA (Ų)
76.76
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
1