Molecular Details
DICL_CP_0307492
- 2-(4-aminobutyl)guanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307492
PubChem CID
Molecular Formula
C5H14N4 Molecular Weight
130.195 g/mol
Synonyms/Alias
[agmatine; 1-(4-Aminobutyl)guanidine; 306-60-5; (4-Aminobutyl)guanidine; Argmatine; 1-Amino-4-guanidobutane; N-(4-aminobutyl)guanidine; N-4-Aminobutylguanidine; guanidine; (4-aminobutyl)-; 2-(4-aminob...
InChI Key
QYPPJABKJHAVHS-UHFFFAOYSA-N
InChI
InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9)
IUPAC Name
2-(4-aminobutyl)guanidine
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
23 22 0 0 0 0 0 0 0 0999 V2000
1.8577 -0.8067 0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8571 -1.4906 -0.5018 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6103 -1.213...
Experimental Data
Activity Data
Target Ion Channel
Acid-sensing ion channel 3
Uniprot Accession Number
Function
Activator
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
pEC50: 3.5
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
−60 mV mV
Temperature
23 ± 2 °C
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
9
Rotatable Bonds
4
logP
-1.0013
Complexity
38.9652
TPSA (Ų)
90.42
H-Bond Donors
3
H-Bond Acceptors
2
Ring Count
0