Molecular Details
DICL_CP_0307555
- 2-pyridin-2-ylguanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307555
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
2.7182 -0.6840 -0.2754 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9365 0.5531 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8475 1.389...
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: >10000 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