Molecular Details
DICL_CP_0311502
- 2-[(E)-benzylideneamino]guanidine;hydrochloride
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311502
PubChem CID
Molecular Formula
C8H11ClN4 Molecular Weight
198.657 g/mol
Synonyms/Alias
[CHEMBL296174; Amino(2-Benzylidenehydrazinyl)Methaniminium Chloride; SCHEMBL9618642; BDBM50490879]
InChI Key
FFUMSLNXMIUXHL-ICSBZGNSSA-N
InChI
InChI=1S/C8H10N4.ClH/c9-8(10)12-11-6-7-4-2-1-3-5-7;/h1-6H,(H4,9,10,12);1H/b11-6+;
IUPAC Name
2-[(E)-benzylideneamino]guanidine;hydrochloride
CAS Number
84057-84-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
24 23 0 0 0 0 0 0 0 0999 V2000
-3.9419 -0.3886 0.7467 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6984 0.9751 0.5654 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4006 1.428...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2A
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 72444 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Binding assay ([3H] MK801)
Test Species
P2 membrane
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
13
Rotatable Bonds
2
logP
0.7157
Complexity
57.0938
TPSA (Ų)
76.76
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
1