Molecular Details
DICL_CP_0324217
- 3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0324217
PubChem CID
Molecular Formula
C16H18N2O3 Molecular Weight
286.331 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
TVZCRIROJQEVOT-UHFFFAOYSA-N
InChI
InChI=1S/C16H18N2O3/c1-16(2)15(20)14(18-7-3-4-13(18)19)11-8-10(9-17)5-6-12(11)21-16/h5-6,8,14-15,20H...
IUPAC Name
3-hydroxy-2,2-dimethyl-4-(2-oxopyrrolidin-1-yl)-3,4-dihydrochromene-6-carbonitrile
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
21 23 0 0 0 0 0 0 0 0999 V2000
-4.0165 -1.0187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6202 -1.5667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4023 -2...
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: 157 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 Bladder
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
1
logP
1.7537
Complexity
75.5588
TPSA (Ų)
73.56
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3