Molecular Details
DICL_CP_0307541
- 2-phenylguanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307541
PubChem CID
Molecular Formula
C7H9N3 Molecular Weight
135.17 g/mol
Synonyms/Alias
[1-Phenylguanidine; 2002-16-6; Phenylguanidine; N-Phenylguanidine; 2-phenylguanidine; GUANIDINE; PHENYL-; alpha-Phenylguanidine; N-Phenyl-guanidine; Guanidine; N-phenyl-; 1N-amino(immino)methylaniline...
InChI Key
QRJZGVVKGFIGLI-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N3/c8-7(9)10-6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)
IUPAC Name
2-phenylguanidine
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
19 19 0 0 0 0 0 0 0 0999 V2000
-2.8855 -0.6065 0.6082 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6873 0.7377 0.2804 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4451 1.166...
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: 2340 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
0.5915
Complexity
41.9118
TPSA (Ų)
64.4
H-Bond Donors
2
H-Bond Acceptors
1
Ring Count
1