Molecular Details
DICL_CP_0426219
- N-[4-[5-[4-[[amino(phenyl)methylidene]amino]phenoxy]pentoxy]phenyl]benzenecarboximidamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0426219
PubChem CID
Molecular Formula
C31H32N4O2 Molecular Weight
492.623 g/mol
Synonyms/Alias
[IK1 Inhibitor PA-6; 500715-03-7; PA-6; 1;5-Bis[4-[[imino(phenyl)methyl]amino]phenoxy]pentane; CHEMBL1187849; SCHEMBL14599576; BCP29257; EX-A2007; ZB1613; AKOS040741870; MS-29154; HY-112544; CS-004634...
InChI Key
PETGITKEGWIZEL-UHFFFAOYSA-N
InChI
InChI=1S/C31H32N4O2/c32-30(24-10-4-1-5-11-24)34-26-14-18-28(19-15-26)36-22-8-3-9-23-37-29-20-16-27(1...
IUPAC Name
N-[4-[5-[4-[[amino(phenyl)methylidene]amino]phenoxy]pentoxy]phenyl]benzenecarboximidamide
CAS Number
500715-03-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
69 72 0 0 0 0 0 0 0 0999 V2000
-9.9252 0.9985 -0.1272 C 0 0 0 0 0 0 0 0 0 0 0 0
-9.3315 -0.1820 -0.5803 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.4852 -0.909...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 1/4
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 10 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 7.4
Holding Potential
−100 to 100 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
E224 and E299
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
37
Rotatable Bonds
12
logP
6.3887
Complexity
151.3778
TPSA (Ų)
95.22
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
4