Molecular Details
DICL_CP_0312817
- N-benzylbenzenecarboximidamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312817
PubChem CID
Molecular Formula
C14H14N2 Molecular Weight
210.28 g/mol
Synonyms/Alias
[N-benzylbenzamidine; N-Benzyl-benzamidine; CHEMBL350615; 15421-92-8; SCHEMBL456940; SCHEMBL17196594; QZARWWZWTPDHPY-UHFFFAOYSA-N; BDBM50124896; AKOS011325233; N-(phenylmethyl)-benzenecarboximidamide;...
InChI Key
QZARWWZWTPDHPY-UHFFFAOYSA-N
InChI
InChI=1S/C14H14N2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2,(H2,15,16)
IUPAC Name
N-benzylbenzenecarboximidamide
CAS Number
1946755-81-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
30 31 0 0 0 0 0 0 0 0999 V2000
-4.6216 1.2441 0.5237 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2279 0.0653 1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1179 -0.647...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2B
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: >15000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
Not mention
Test Method
Binding assay ([3H] ifenprodil)
Test Species
L(tk-) cell
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
16
Rotatable Bonds
3
logP
2.5921
Complexity
67.3124
TPSA (Ų)
38.38
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
2