Molecular Details
DICL_CP_0365308
- 2-N-(4-fluorophenyl)-4-N-phenyl-6-N-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0365308
PubChem CID
Molecular Formula
C20H17FN8 Molecular Weight
388.41 g/mol
Synonyms/Alias
[792184-90-8; ASP2905; ASP-2905; N2-(4-fluorophenyl)-N4-phenyl-N6-(pyrimidin-2-ylmethyl)-1;3;5-triazine-2;4;6-triamine; ASP2905 Hydrochloride; 2-N-(4-fluorophenyl)-4-N-phenyl-6-N-(pyrimidin-2-ylmethyl...
InChI Key
APYUZVKHUKMAIJ-UHFFFAOYSA-N
InChI
InChI=1S/C20H17FN8/c21-14-7-9-16(10-8-14)26-20-28-18(24-13-17-22-11-4-12-23-17)27-19(29-20)25-15-5-2...
IUPAC Name
2-N-(4-fluorophenyl)-4-N-phenyl-6-N-(pyrimidin-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CAS Number
792184-90-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
46 49 0 0 0 0 0 0 0 0999 V2000
2.5270 4.9847 1.1864 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7928 3.6501 1.5025 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7695 2.699...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily H member 3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 9 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−80 mV mV
Temperature
23 ± 2 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
29
Rotatable Bonds
7
logP
3.9
Complexity
108.5931
TPSA (Ų)
100.54
H-Bond Donors
3
H-Bond Acceptors
8
Ring Count
4