Molecular Details
DICL_CP_0319448
- N-methyl-3-(2-tricyclo[9.4.0.038]pentadeca-1(15)3571113-hexaenylidene)propan-1-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0319448
PubChem CID
Molecular Formula
C19H21N Molecular Weight
263.384 g/mol
Synonyms/Alias
[nortriptyline; 72-69-5; Aventyl; Desitriptilina; Noramitriptyline; Lumbeck; Avantyl; Desmethylamitriptyline; Noritren; Sensaval; Ateben; Demethylamitriptyline; Sesaval; Nortryptiline; Nortryptyline; ...
InChI Key
PHVGLTMQBUFIQQ-UHFFFAOYSA-N
InChI
InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H...
IUPAC Name
N-methyl-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
20 22 0 0 0 0 0 0 0 0999 V2000
-5.9628 -2.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8630 -1.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4297 -1...
Experimental Data
Activity Data
Target Ion Channel
ATP sensitive inward rectifier potassium channel 11/SUR2B
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: 43 nM
EC50
N/A (Not available)
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
20
Rotatable Bonds
3
logP
3.8264
Complexity
85.9147
TPSA (Ų)
12.03
H-Bond Donors
1
H-Bond Acceptors
1
Ring Count
3