Molecular Details
DICL_CP_0308099
- [2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308099
PubChem CID
Molecular Formula
C8H12NO2+ Molecular Weight
154.189 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
QHGUCRYDKWKLMG-UHFFFAOYSA-O
InChI
InChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/p+1
IUPAC Name
[2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
23 23 0 0 0 0 0 0 0 0999 V2000
-3.4443 -0.1666 -0.3567 N 0 0 0 0 0 4 0 0 0 0 0 0
-2.0077 -0.4311 -0.4479 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2163 0.413...
Experimental Data
Activity Data
Target Ion Channel
5-hydroxytryptamine receptor 3A
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 24 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not Mention
Holding Potential
Not specified
Temperature
Not Mention
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay (Calcium ion)
Test Species
HEK293 cel
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
11
Rotatable Bonds
2
logP
-0.3325
Complexity
40.8217
TPSA (Ų)
68.1
H-Bond Donors
3
H-Bond Acceptors
2
Ring Count
1