Molecular Details
DICL_CP_0322083
- NN-dimethyl-3-(2-tricyclo[9.4.0.038]pentadeca-1(15)3571113-hexaenylidene)propan-1-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0322083
PubChem CID
Molecular Formula
C20H23N Molecular Weight
277.411 g/mol
Synonyms/Alias
[amitriptyline; 50-48-6; Amitriptylin; Damitriptyline; Triptanol; Flavyl; Seroten; Proheptadiene; Lantron; Triptisol; Tryptanol; Adepress; Adepril; Damilen; Elavil; Amitryptiline; Triptilin; Redomex; ...
InChI Key
KRMDCWKBEZIMAB-UHFFFAOYSA-N
InChI
InChI=1S/C20H23N/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12H,7,13-15H...
IUPAC Name
NN-dimethyl-3-(2-tricyclo[9.4.0.038]pentadeca-1(15)3571113-hexaenylidene)propan-1-amine
CAS Number
50-48-6
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
21 23 0 0 0 0 0 0 0 0999 V2000
-5.7199 -2.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6183 -1.4881 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.9490 -0...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 1/4
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 30000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.3
Holding Potential
−75 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
3
logP
4.1686
Complexity
90.542
TPSA (Ų)
3.24
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
3