Molecular Details
DICL_CP_0308049
- adamantan-1-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308049
PubChem CID
Molecular Formula
C10H17N Molecular Weight
151.253 g/mol
Synonyms/Alias
[amantadine; 1-Adamantanamine; 768-94-5; adamantan-1-amine; 1-Adamantylamine; 1-Aminoadamantane; Adamantanamine; Adamantylamine; Aminoadamantane; Amantidine; Symmetrel; Pk-merz; Adamantamine; Symadine...
InChI Key
DKNWSYNQZKUICI-UHFFFAOYSA-N
InChI
InChI=1S/C10H17N/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6,11H2
IUPAC Name
adamantan-1-amine
CAS Number
19982-08-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
28 30 0 0 0 0 0 0 0 0999 V2000
0.8551 -1.5940 -0.6643 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0274 -1.5499 0.6028 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6839 -0.723...
Experimental Data
Activity Data
Target Ion Channel
Glutamate receptor ionotropic subunit NMDA 1/2A
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 10000 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.0
Holding Potential
Not specified
Temperature
37 °C
Test Method
Binding assay
Test Species
Pig brain membrane
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
PCP binding site
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
11
Rotatable Bonds
0
logP
1.9139
Complexity
45.0904
TPSA (Ų)
26.02
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
4