Molecular Details
DICL_CP_0318134
- (5E)-5-(1H-indol-3-ylmethylidene)-1,3-dimethylimidazolidine-2,4-dione
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0318134
PubChem CID
Molecular Formula
C14H13N3O2 Molecular Weight
255.277 g/mol
Synonyms/Alias
InChI Key
WUQMPTDEQHJERM-KPKJPENVSA-N
InChI
InChI=1S/C14H13N3O2/c1-16-12(13(18)17(2)14(16)19)7-9-8-15-11-6-4-3-5-10(9)11/h3-8,15H,1-2H3/b12-7+
IUPAC Name
(5E)-5-(1H-indol-3-ylmethylidene)-1,3-dimethylimidazolidine-2,4-dione
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
19 21 0 0 0 0 0 0 0 0999 V2000
-2.8142 2.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7921 1.3947 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5657 0...
Experimental Data
Activity Data
Target Ion Channel
Glycine receptor subunit alpha-3
Uniprot Accession Number
Function
Modulator
Species
Homo sapiens (Human)
IC50
IC50: 67000 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
Not mention mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
1
logP
2.0326
Complexity
72.2047
TPSA (Ų)
56.41
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3