Molecular Details
DICL_CP_0328747
- 2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0328747
PubChem CID
Molecular Formula
C16H22FN5 Molecular Weight
303.385 g/mol
Synonyms/Alias
[CHEMBL5093708; SCHEMBL25191245; BDBM50583200]
InChI Key
MGRQRDPJVVKWSJ-UHFFFAOYSA-N
InChI
InChI=1S/C16H22FN5/c1-10-9-15(19-14-6-4-13(17)5-7-14)20-16(18-10)22-12(3)8-11(2)21-22/h8-9,13-14H,4-...
IUPAC Name
2-(3,5-dimethylpyrazol-1-yl)-N-(4-fluorocyclohexyl)-6-methylpyrimidin-4-amine
CAS Number
1019106-73-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
44 46 0 0 0 0 0 0 0 0999 V2000
-0.8648 2.1393 -3.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9100 1.2716 -1.9823 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2544 0.665...
Experimental Data
Activity Data
Target Ion Channel
Small conductance Calcium activated potassium channel protein 2
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
pH 7.2
Holding Potential
−90 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
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
3
logP
3.2802
Complexity
84.1397
TPSA (Ų)
55.63
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
3