Molecular Details
DICL_CP_0314950
- 1-(1-methylspiro[2H-indole-3,3-pyrrolidine]-1-yl)etha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314950
PubChem CID
Molecular Formula
C14H18N2O Molecular Weight
230.311 g/mol
Synonyms/Alias
[64158-05-0; CHEMBL3274623; BRN 0916922; 1-Acetyl-1-methylspiro(indoline-3;3-pyrrolidine); Spiro(indoline-3;3-pyrrolidine); 1-acetyl-1-methyl-; 1-Acetyl-1;2-dihydro-1-methylspiro(3H-indole-3;3-pyrroli...
InChI Key
NFKVONBKZSTPAZ-UHFFFAOYSA-N
InChI
InChI=1S/C14H18N2O/c1-11(17)16-10-14(7-8-15(2)9-14)12-5-3-4-6-13(12)16/h3-6H,7-10H2,1-2H3
IUPAC Name
1-(1-methylspiro[2H-indole-3,3-pyrrolidine]-1-yl)etha
CAS Number
357-57-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
35 37 0 0 0 0 0 0 0 0999 V2000
-3.3185 -2.5274 -1.1782 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0909 -1.4902 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9549 -1.344...
Experimental Data
Activity Data
Target Ion Channel
Glycine receptor subunit alpha-1
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 23600 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
17
Rotatable Bonds
0
logP
1.6264
Complexity
68.261
TPSA (Ų)
23.55
H-Bond Donors
0
H-Bond Acceptors
2
Ring Count
3