Molecular Details
DICL_CP_0309385
- 2-[4-(diaminomethylideneamino)butyl]guanidine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309385
PubChem CID
Molecular Formula
C6H16N6 Molecular Weight
172.236 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
HGMDNMBBCKDWTQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H16N6/c7-5(8)11-3-1-2-4-12-6(9)10/h1-4H2,(H4,7,8,11)(H4,9,10,12)
IUPAC Name
2-[4-(diaminomethylideneamino)butyl]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
12 11 0 0 0 0 0 0 0 0999 V2000
0.6157 0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6157 -0.4282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9732 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
12
Rotatable Bonds
5
logP
-1.6866
Complexity
50.5876
TPSA (Ų)
128.8
H-Bond Donors
4
H-Bond Acceptors
2
Ring Count
0