Molecular Details
DICL_CP_0309626
- 3-(2-aminoethyl)-1H-indol-5-ol
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0309626
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
-3.1757 -0.5850 0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8416 -0.9870 -0.6058 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5789 -0.649...
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: 390 nM
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
37 °C
Test Method
Binding assay
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
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