Molecular Details
DICL_CP_0310808
- 3-(2-aminoethyl)-2-methyl-1H-indol-5-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310808
PubChem CID
Molecular Formula
C11H14N2O Molecular Weight
190.246 g/mol
Synonyms/Alias
[2-Methyl-5-hydroxytryptamine; 78263-90-8; 2-Methylserotonin; 2-Methyl-5-HT; 3-(2-Aminoethyl)-2-methyl-1H-indol-5-ol; 2-Me 5-HT; 1H-Indol-5-ol; 3-(2-aminoethyl)-2-methyl-; 2-Me-5-HT; 3-(2-Amino-ethyl)...
InChI Key
WYWNEDARFVJQSG-UHFFFAOYSA-N
InChI
InChI=1S/C11H14N2O/c1-7-9(4-5-12)10-6-8(14)2-3-11(10)13-7/h2-3,6,13-14H,4-5,12H2,1H3
IUPAC Name
3-(2-aminoethyl)-2-methyl-1H-indol-5-ol
CAS Number
83-74-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
28 29 0 0 0 0 0 0 0 0999 V2000
0.8127 2.9714 0.3905 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0132 1.7317 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3127 0.455...
Experimental Data
Activity Data
Target Ion Channel
5-hydroxytryptamine receptor 3A/3B
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
IC50: 779 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 7.4
Holding Potential
Not specified
Temperature
25 °C
Test Method
Binding assay ([3H] BRL-43694)
Test Species
Not specified
Binding Information
Binding Site
extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
2
logP
1.6831
Complexity
57.4589
TPSA (Ų)
62.04
H-Bond Donors
3
H-Bond Acceptors
2
Ring Count
2