Molecular Details
DICL_CP_0321137
- 1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0321137
PubChem CID
Molecular Formula
C13H18Cl2N2 Molecular Weight
273.207 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
SUIZRDJCBVPASY-UHFFFAOYSA-N
InChI
InChI=1S/C13H18Cl2N2/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11/h2-3,10H,4-9H2,1H3
IUPAC Name
1-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine
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
35 36 0 0 0 0 0 0 0 0999 V2000
-4.9404 -1.0693 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4957 -0.8254 0.2564 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0739 -0.949...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 2B
Uniprot Accession Number
Function
Antagonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 49 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
Not specified
Temperature
37 ℃
Test Method
Binding assay (ifenprodil)
Test Species
L(tk-) cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
3
logP
2.7833
Complexity
74.103
TPSA (Ų)
6.48
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
2