Molecular Details
DICL_CP_0347693
- N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0347693
PubChem CID
Molecular Formula
C17H16ClN7 Molecular Weight
353.817 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
DVQOPNIPUIOXHU-UHFFFAOYSA-N
InChI
InChI=1S/C17H16ClN7/c1-10-8-11(2)25(23-10)17-21-15(14-16(22-17)24(3)9-19-14)20-13-6-4-12(18)5-7-13/h...
IUPAC Name
N-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)-9-methylpurin-6-amine
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
41 44 0 0 0 0 0 0 0 0999 V2000
-5.2159 -1.5564 -1.6435 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8536 -1.4080 -1.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0823 -2.428...
Experimental Data
Activity Data
Target Ion Channel
Small conductance calcium-activated potassium channel protein 1
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: >100000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Extracellular solution pH 7.4/Intracellular solution pH 7.2
Holding Potential
−90 mV mV
Temperature
room temperature
Test Method
Patch-clamping
Test Species
TSA201 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
25
Rotatable Bonds
3
logP
3.5628
Complexity
97.6347
TPSA (Ų)
73.45
H-Bond Donors
1
H-Bond Acceptors
7
Ring Count
4