Molecular Details
DICL_CP_0344827
- (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0344827
PubChem CID
Molecular Formula
C22H37NO2 Molecular Weight
347.543 g/mol
Synonyms/Alias
[Anandamide; Arachidonylethanolamide; 94421-68-8; Arachidonoyl ethanolamide; N-Arachidonoylethanolamine; N-arachidonoyl ethanolamine; arachidonoylethanolamide; AEA; (5Z;8Z;11Z;14Z)-N-(2-hydroxyethyl)i...
InChI Key
LGEQQWMQCRIYKG-DOFZRALJSA-N
InChI
InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-1...
IUPAC Name
(5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide
CAS Number
94421-68-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
62 61 0 0 0 0 0 0 0 0999 V2000
-9.0966 -1.0186 0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0
-8.0452 -2.1177 0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6111 -1.593...
Experimental Data
Activity Data
Target Ion Channel
Glycine receptor alpha-3
Uniprot Accession Number
Function
Inactive
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
No effect
Experimental Conditions
pH
pH 7.4
Holding Potential
−40 mV mV
Temperature
19–22 °C
Test Method
Patch-clamping
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
25
Rotatable Bonds
16
logP
5.2406
Complexity
108.4995
TPSA (Ų)
49.33
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
0