Molecular Details
DICL_CP_0307491
- 2-(4-aminobutyl)guanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307491
PubChem CID
Molecular Formula
C5H14N4 Molecular Weight
130.195 g/mol
Synonyms/Alias
N/A (Not available)
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
9 8 0 0 0 0 0 0 0 0999 V2000
2.2994 0.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0358 -0.5368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2960 0...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptor subunit Delta2
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
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 7.0–7.4
Holding Potential
−70 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
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