Molecular Details
DICL_CP_0351196
- 2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0351196
PubChem CID
Molecular Formula
C22H35NO3 Molecular Weight
361.526 g/mol
Synonyms/Alias
[N-arachidonylglycine; N-arachidonoylglycine; 179113-91-8; NAGly; N-arachidonoyl glycine; arachidonoyl glycine; NA-Gly; arachidonyl glycine; 5PB56SQA6E; N-(5Z;8Z;11Z;14Z-eicosatetraenoyl)-glycine; UNI...
InChI Key
YLEARPUNMCCKMP-DOFZRALJSA-N
InChI
InChI=1S/C22H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(24)23-20-22(25)26/h6-7,9-10,1...
IUPAC Name
2-[[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]amino]acetic acid
CAS Number
179113-91-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
61 60 0 0 0 0 0 0 0 0999 V2000
6.4724 0.3902 -0.0213 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1205 0.5825 -0.7068 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6455 -0.673...
Experimental Data
Activity Data
Target Ion Channel
Glycine receptor alpha-3
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 1320 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
−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
26
Rotatable Bonds
16
logP
5.3329
Complexity
109.0495
TPSA (Ų)
66.4
H-Bond Donors
2
H-Bond Acceptors
2
Ring Count
0