Molecular Details
DICL_CP_0316807
- N-[(3-chlorophenyl)methyl]benzenecarboximidamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0316807
PubChem CID
Molecular Formula
C14H13ClN2 Molecular Weight
244.725 g/mol
Synonyms/Alias
[CHEMBL159498; N-(3-Chloro-benzyl)-benzamidine; BDBM50124929; AKOS011326018]
InChI Key
AMCWZTJNWRMWDN-UHFFFAOYSA-N
InChI
InChI=1S/C14H13ClN2/c15-13-8-4-5-11(9-13)10-17-14(16)12-6-2-1-3-7-12/h1-9H,10H2,(H2,16,17)
IUPAC Name
N-[(3-chlorophenyl)methyl]benzenecarboximidamide
CAS Number
31235-28-6
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
4.5477 1.3043 0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2864 1.8443 0.9311 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1494 1.032...
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: 4200 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
17
Rotatable Bonds
3
logP
3.2455
Complexity
72.3224
TPSA (Ų)
38.38
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
2