Molecular Details
DICL_CP_0313431
- 1-spiro[2H-indole-3,1-cyclopentane]-1-yletha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313431
PubChem CID
Molecular Formula
C14H17NO Molecular Weight
215.296 g/mol
Synonyms/Alias
[42540-56-7; Spiro(cyclopentane-1;3-indoline); 1-acetyl-; 1-spiro[2H-indole-3;1-cyclopentane]-1-yletha; CHEMBL3274622; BRN 1245068; 1-Acetylspiro(cyclopentane-1;3-indoline); DTXSID50195334; BDBM500166...
InChI Key
WWXGSKCMGUTIOD-UHFFFAOYSA-N
InChI
InChI=1S/C14H17NO/c1-11(16)15-10-14(8-4-5-9-14)12-6-2-3-7-13(12)15/h2-3,6-7H,4-5,8-10H2,1H3
IUPAC Name
1-spiro[2H-indole-3,1-cyclopentane]-1-yletha
CAS Number
42540-56-7
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
33 35 0 0 0 0 0 0 0 0999 V2000
3.2793 -2.4315 -0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8479 -1.0757 -0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5679 -0.461...
Experimental Data
Activity Data
Target Ion Channel
Glycine receptor subunit alpha-1
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: >1000000 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
16
Rotatable Bonds
0
logP
2.8649
Complexity
64.615
TPSA (Ų)
20.31
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
3