Molecular Details
DICL_CP_0327749
- 5-amino-N-[2-(2-chlorophenyl)ethyl]-N-cyanopyridine-3-carboximidamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0327749
PubChem CID
Molecular Formula
C15H14ClN5 Molecular Weight
299.765 g/mol
Synonyms/Alias
[KRN4884; 152802-84-1; 5-amino-N-[2-(2-chlorophenyl)ethyl]-N-cyanopyridine-3-carboximidamide; SCHEMBL5044053; SCHEMBL8521392; NDGLGOGSZCDCPI-UHFFFAOYSA-N; HY-U00201; ZINC04605401; AKOS040741918; CS-73...
InChI Key
NDGLGOGSZCDCPI-UHFFFAOYSA-N
InChI
InChI=1S/C15H14ClN5/c16-14-4-2-1-3-11(14)5-6-20-15(21-10-17)12-7-13(18)9-19-8-12/h1-4,7-9H,5-6,18H2,...
IUPAC Name
5-amino-N-[2-(2-chlorophenyl)ethyl]-N-cyanopyridine-3-carboximidamide
CAS Number
152802-84-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
35 36 0 0 0 0 0 0 0 0999 V2000
-4.5177 -0.7286 -1.7417 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4756 0.3301 -2.6499 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6805 1.447...
Experimental Data
Activity Data
Target Ion Channel
Inward rectifier potassium channel 2
Uniprot Accession Number
Function
Inactive
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
pH 7.4
Holding Potential
−120 to 60 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Guinea pig
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
4
logP
2.3772
Complexity
83.9581
TPSA (Ų)
87.09
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
2