Molecular Details
DICL_CP_0307557
- 2-pyridin-3-ylguanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307557
PubChem CID
Molecular Formula
C6H8N4 Molecular Weight
136.158 g/mol
Synonyms/Alias
[PYRAXININE; 1-(pyridin-3-yl)guanidine; CHEMBL419966; 67087-03-0; 3-pyridylguanidine; N-3-pyridinylguanidine; N-Pyridin-3-yl-guanidine; SCHEMBL2456848; BDBM50053612; AKOS011667744; DB-144176]
InChI Key
UHLKYVNSNIWKGX-UHFFFAOYSA-N
InChI
InChI=1S/C6H8N4/c7-6(8)10-5-2-1-3-9-4-5/h1-4H,(H4,7,8,10)
IUPAC Name
2-pyridin-3-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
-2.5898 1.1392 -0.5855 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2406 1.3834 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4222 0.354...
Experimental Data
Activity Data
Target Ion Channel
5-hydroxytryptamine receptor 3A/3B/3C/3D/3E
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 2910 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
37 °C
Test Method
Binding assay ([3H] GR-65630)
Test Species
NG-108-15 cell
Binding Information
Binding Site
extracellular domain
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