Molecular Details
DICL_CP_0319453
- 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_0319453
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
41 43 0 0 0 0 0 0 0 0999 V2000
5.0278 -0.7134 0.9130 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0658 0.2532 1.4486 N 0 0 0 0 0 0 0 0 0 0 0 0
2.9034 -0.410...
Experimental Data
Activity Data
Target Ion Channel
Inward rectifier potassium channel 4
Uniprot Accession Number
Function
Blocker
Species
Rattus norvegicus (Rat)
IC50
IC50: 2000 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