Molecular Details
DICL_CP_0307553
- 2-pyridin-2-ylguanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307553
PubChem CID
Molecular Formula
C6H8N4 Molecular Weight
136.158 g/mol
Synonyms/Alias
[CHEMBL128047; CHEMBL3407824; pyridylguanidine; N-Pyridin-2-yl-guanidine; 1-(Pyridin-2-yl)guanidine; 45810-88-6; SCHEMBL2226462; SCHEMBL19678163; BDBM50053618; BDBM50070080; AKOS006339173]
InChI Key
NVDXVBPBFJKQJG-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N4/c7-6(8)10-5-3-1-2-4-9-5/h1-4H,(H4,7,8,9,10)
IUPAC Name
2-pyridin-2-ylguanidine
CAS Number
105650-23-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
18 18 0 0 0 0 0 0 0 0999 V2000
-2.2543 0.0371 0.8714 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9839 0.5745 -0.1900 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3730 0.710...
Experimental Data
Activity Data
Target Ion Channel
Acid-sensing ion channel 3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: >100000 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
−60 mV mV
Temperature
Not mention
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
10
Rotatable Bonds
1
logP
-0.0135
Complexity
39.7068
TPSA (Ų)
77.29
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
1