Molecular Details
DICL_CP_0312879
- 2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312879
PubChem CID
Molecular Formula
C11H17NO3 Molecular Weight
211.261 g/mol
Synonyms/Alias
[methoxamine; 390-28-3; Methoxamin; Pseudomethoxamine; 2-amino-1-(2;5-dimethoxyphenyl)propan-1-ol; Methoxamedrine; Metossamina; Vasoxyl; 2;5-Dimethoxynorephedrine; CHEMBL524; Benzenemethanol; alpha-(1...
InChI Key
WJAJPNHVVFWKKL-UHFFFAOYSA-N
InChI
InChI=1S/C11H17NO3/c1-7(12)11(13)9-6-8(14-2)4-5-10(9)15-3/h4-7,11,13H,12H2,1-3H3
IUPAC Name
2-amino-1-(2,5-dimethoxyphenyl)propan-1-ol
CAS Number
390-28-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
32 32 0 0 0 0 0 0 0 0999 V2000
-3.8687 0.5385 0.5348 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4014 0.7000 0.1055 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5027 -0.383...
Experimental Data
Activity Data
Target Ion Channel
Potassium voltage-gated channel subfamily A member 5
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 276000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
60 mV mV
Temperature
20–23 °C
Test Method
Patch-clamping
Test Species
Rattus norvegicus heart
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
4
logP
1.0844
Complexity
58.1552
TPSA (Ų)
64.71
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
1