Molecular Details
DICL_CP_0454875
- N,N-bis[6-(2,2-diphenylethylamino)hexyl]octane-1,8-diamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0454875
PubChem CID
Molecular Formula
C48H70N4 Molecular Weight
703.116 g/mol
Synonyms/Alias
[CHEMBL55568; BDBM50492252]
InChI Key
NRCHURHJYYUUJQ-UHFFFAOYSA-N
InChI
InChI=1S/C48H70N4/c1(3-21-35-49-37-23-5-7-25-39-51-41-47(43-27-13-9-14-28-43)44-29-15-10-16-30-44)2-...
IUPAC Name
N,N-bis[6-(2,2-diphenylethylamino)hexyl]octane-1,8-diamine
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
122125 0 0 0 0 0 0 0 0999 V2000
9.2827 -4.5604 4.0584 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8986 -4.7031 2.7266 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6989 -3.575...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 1/2A
Uniprot Accession Number
Function
Blocker
Species
Mus musculus (Mouse)
IC50
IC50: 11 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
−70 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
52
Rotatable Bonds
31
logP
10.4704
Complexity
225.5708
TPSA (Ų)
48.12
H-Bond Donors
4
H-Bond Acceptors
4
Ring Count
4