Molecular Details
DICL_CP_0329576
- oxalic acid;1-spiro[2H-indole-3,3-pyrrolidine]-1-yletha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0329576
PubChem CID
Molecular Formula
C15H18N2O5 Molecular Weight
306.318 g/mol
Synonyms/Alias
[CHEMBL3274976; BDBM50016665]
InChI Key
ANLBRGQXHINDAJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H16N2O.C2H2O4/c1-10(16)15-9-13(6-7-14-8-13)11-4-2-3-5-12(11)15;3-1(4)2(5)6/h2-5,14H,6-9H...
IUPAC Name
oxalic acid;1-spiro[2H-indole-3,3-pyrrolidine]-1-yletha
CAS Number
64158-06-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
40 41 0 0 0 0 0 0 0 0999 V2000
-2.2603 -3.1994 0.1663 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4367 -1.7161 0.2662 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5646 -1.259...
Experimental Data
Activity Data
Target Ion Channel
Glycine receptor subunit alpha-1
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 295000 nM
EC50
N/A (Not available)
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
Binding assay ([3H] Strychnine)
Test Species
Not specified
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
22
Rotatable Bonds
0
logP
0.4398
Complexity
78.9053
TPSA (Ų)
106.94
H-Bond Donors
3
H-Bond Acceptors
4
Ring Count
3