Molecular Details
DICL_CP_0310633
- 1-methylspiro[1,2-dihydroindole-3,3-pyrrolidine]
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0310633
PubChem CID
Molecular Formula
C12H16N2 Molecular Weight
188.274 g/mol
Synonyms/Alias
[CHEMBL3274977; SCHEMBL4270096; BDBM50016570; AT21736; 1-METHYLSPIRO[INDOLINE-3;3-PYRROLIDINE]; 64158-01-6]
InChI Key
BWJNOOGWEYJEEY-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2/c1-14-7-6-12(9-14)8-13-11-5-3-2-4-10(11)12/h2-5,13H,6-9H2,1H3
IUPAC Name
1-methylspiro[1,2-dihydroindole-3,3-pyrrolidine]
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
30 32 0 0 0 0 0 0 0 0999 V2000
-3.1231 1.9189 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3286 0.9764 -0.4172 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.6051 -0.427...
Experimental Data
Activity Data
Target Ion Channel
Glycine receptor subunit alpha-1
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 282000 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
14
Rotatable Bonds
0
logP
1.6854
Complexity
58.7237
TPSA (Ų)
15.27
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3