Molecular Details
DICL_CP_0311462
- 1,2,3,4-tetrahydroacridin-9-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311462
PubChem CID
Molecular Formula
C13H14N2 Molecular Weight
198.269 g/mol
Synonyms/Alias
[Tacrine; 321-64-2; 1;2;3;4-tetrahydroacridin-9-amine; 1;2;3;4-TETRAHYDRO-9-ACRIDINAMINE; Tetrahydroaminacrine; Tetrahydroaminoacridine; Tetrahydroaminocrin; Tetrahydroaminocrine; Cognex; 9-amino-1;2;...
InChI Key
YLJREFDVOIBQDA-UHFFFAOYSA-N
InChI
InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
IUPAC Name
1,2,3,4-tetrahydroacridin-9-amine
CAS Number
321-64-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
15 17 0 0 0 0 0 0 0 0999 V2000
-3.8971 -0.5500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8971 0.9500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5981 1...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 2
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 102100 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
−110 to 60 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
0
logP
2.6958
Complexity
62.7974
TPSA (Ų)
38.91
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3