Molecular Details
DICL_CP_0327997
- 4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0327997
PubChem CID
Molecular Formula
C16H24N6 Molecular Weight
300.41 g/mol
Synonyms/Alias
[CHEMBL5079951; BDBM50583197]
InChI Key
KNCSGEOLFXIXKO-UHFFFAOYSA-N
InChI
InChI=1S/C16H24N6/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,4-7...
IUPAC Name
4-N-[2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]cyclohexane-1,4-diamine
CAS Number
1004384-73-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
46 48 0 0 0 0 0 0 0 0999 V2000
1.3263 3.4488 1.6615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2555 2.0682 1.0912 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0250 1.419...
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
2.2694
Complexity
87.2191
TPSA (Ų)
81.65
H-Bond Donors
2
H-Bond Acceptors
6
Ring Count
3