Molecular Details
DICL_CP_0308384
- 1-(2,3-dihydroindol-1-yl)etha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0308384
PubChem CID
Molecular Formula
C10H11NO Molecular Weight
161.204 g/mol
Synonyms/Alias
[1-Acetylindoline; 16078-30-1; 1-(indolin-1-yl)etha; N-Acetylindoline; 1-(2;3-dihydroindol-1-yl)etha; 1H-Indole; 1-acetyl-2;3-dihydro-; 1-(2;3-dihydro-1H-indol-1-yl)ethan-1-one; MFCD00022908; CHEMBL32...
InChI Key
RNTCWULFNYNFGI-UHFFFAOYSA-N
InChI
InChI=1S/C10H11NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-5H,6-7H2,1H3
IUPAC Name
1-(2,3-dihydroindol-1-yl)etha
CAS Number
1401203-09-5
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
23 24 0 0 0 0 0 0 0 0999 V2000
2.5623 -1.5838 0.1883 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2964 -0.2868 -0.5090 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2086 0.217...
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
12
Rotatable Bonds
0
logP
1.5956
Complexity
48.173
TPSA (Ų)
20.31
H-Bond Donors
0
H-Bond Acceptors
1
Ring Count
2