Molecular Details
DICL_CP_0326980
- 1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-spiro[2.3]hexan-2-ylurea
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0326980
PubChem CID
Molecular Formula
C14H17F2N3O2 Molecular Weight
297.305 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
IZELMLRSZYLEIO-UHFFFAOYSA-N
InChI
InChI=1S/C14H17F2N3O2/c15-12(16)21-11-6-9(2-5-17-11)8-18-13(20)19-10-7-14(10)3-1-4-14/h2,5-6,10,12H,...
IUPAC Name
1-[[2-(difluoromethoxy)-4-pyridinyl]methyl]-3-spiro[2.3]hexan-2-ylurea
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
7.3105 -2.2078 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0
5.9890 -1.4982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7137 -2...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily KQT member 3/5
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >30000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−60 mV mV
Temperature
36±1° C
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US20240316020
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
5
logP
2.4248
Complexity
70.9294
TPSA (Ų)
63.25
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
3