Molecular Details
DICL_CP_0341280
- N-[4-(4-aminophenyl)phenyl]-6-phenylpyridazin-3-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0341280
PubChem CID
Molecular Formula
C22H18N4 Molecular Weight
338.414 g/mol
Synonyms/Alias
InChI Key
DZIXGQHGYYDTSQ-UHFFFAOYSA-N
InChI
InChI=1S/C22H18N4/c23-19-10-6-16(7-11-19)17-8-12-20(13-9-17)24-22-15-14-21(25-26-22)18-4-2-1-3-5-18/...
IUPAC Name
N-[4-(4-aminophenyl)phenyl]-6-phenylpyridazin-3-amine
CAS Number
901773-91-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
26 29 0 0 0 0 0 0 0 0999 V2000
-8.0663 -2.1852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.1237 -0.6863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8543 0...
Experimental Data
Activity Data
Target Ion Channel
Inward rectifier potassium channel 4
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 15 (inward) 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
−50 to 50 mV mV
Temperature
20−26 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
26
Rotatable Bonds
4
logP
5.1364
Complexity
107.0411
TPSA (Ų)
63.83
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
4