Molecular Details
DICL_CP_0339560
- (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0339560
PubChem CID
Molecular Formula
C21H22N2O2 Molecular Weight
334.419 g/mol
Synonyms/Alias
[strychnine; 57-24-9; Strychnidin-10-one; (-)-Strychnine; Sanaseed; Strychnin; Strychninum; Estricnina; Strychinos; Gopher bait; Gopher-gitter; Boomer-rid; Hare-Rid; Caswell No. 805; CHEBI:28973; RCRA...
InChI Key
QMGVPVSNSZLJIA-FVWCLLPLSA-N
InChI
InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)2...
IUPAC Name
(4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one
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
25 31 0 0 0 0 0 0 0 0999 V2000
-1.6355 -3.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1030 -3.5420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8519 -2...
Experimental Data
Activity Data
Target Ion Channel
Glycine receptor alpha-1/betab
Uniprot Accession Number
Function
Inhibitor
Species
Danio rerio (Zebrafish) (Brachydanio rerio)
IC50
IC50: 68 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.5
Holding Potential
−70 mV mV
Temperature
18 °C
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
25
Rotatable Bonds
0
logP
2.0925
Complexity
93.409
TPSA (Ų)
32.78
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
7