Molecular Details
DICL_CP_0309623
- 3-(2-aminoethyl)-1H-indol-5-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309623
PubChem CID
Molecular Formula
C10H12N2O Molecular Weight
176.219 g/mol
Synonyms/Alias
[serotonin; 5-HYDROXYTRYPTAMINE; 50-67-9; 3-(2-Aminoethyl)-1H-indol-5-ol; Enteramine; Thrombotonin; 5-HT; Thrombocytin; Antemovis; Serotonine; Ds substance; Antemoqua; Hippophain; Substance DS; Substa...
InChI Key
QZAYGJVTTNCVMB-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2
IUPAC Name
3-(2-aminoethyl)-1H-indol-5-ol
CAS Number
73-31-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
25 26 0 0 0 0 0 0 0 0999 V2000
-3.2763 0.0680 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6530 -1.1920 0.3402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2985 -1.263...
Experimental Data
Activity Data
Target Ion Channel
5-hydroxytryptamine receptor 3A/3B
Uniprot Accession Number
Function
Antagonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
Ki: 120 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Binding assay ([3H] granisetron)
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
13
Rotatable Bonds
2
logP
1.3747
Complexity
52.7219
TPSA (Ų)
62.04
H-Bond Donors
3
H-Bond Acceptors
2
Ring Count
2