Molecular Details
DICL_CP_0315821
- (E)-N-benzyl-3-phenylprop-2-enimidamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0315821
PubChem CID
Molecular Formula
C16H16N2 Molecular Weight
236.318 g/mol
Synonyms/Alias
[CHEMBL158874; SCHEMBL3029548; (E)-N-Benzyl-3-phenyl-acrylamidine; BDBM50124892]
InChI Key
HEXBAJSBFNYKJO-VAWYXSNFSA-N
InChI
InChI=1S/C16H16N2/c17-16(12-11-14-7-3-1-4-8-14)18-13-15-9-5-2-6-10-15/h1-12H,13H2,(H2,17,18)/b12-11+
IUPAC Name
(E)-N-benzyl-3-phenylprop-2-enimidamide
CAS Number
1413438-96-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
34 35 0 0 0 0 0 0 0 0999 V2000
-5.5566 -0.7940 0.9729 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.1408 0.1265 0.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7794 0.283...
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: 9 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
18
Rotatable Bonds
4
logP
3.2572
Complexity
77.2444
TPSA (Ų)
38.38
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
2