Molecular Details
DICL_CP_0307399
- benzenecarboximidamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0307399
PubChem CID
Molecular Formula
C7H8N2 Molecular Weight
120.155 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
PXXJHWLDUBFPOL-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H3,8,9)
IUPAC Name
benzenecarboximidamide
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 9 0 0 0 0 0 0 0 0999 V2000
2.6667 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9167 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4167 -1...
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
1
logP
0.9707
Complexity
37.4581
TPSA (Ų)
49.87
H-Bond Donors
2
H-Bond Acceptors
1
Ring Count
1