Molecular Details
DICL_CP_0398557
- 5,16-dibromo-4-hydroxy-2-oxa-10-azatricyclo[12.2.2.13,7]nonadeca-1(16),3,5,7(19),14,17-hexaen-11-one
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0398557
PubChem CID
N/A (Not available)
Molecular Formula
C17H15Br2NO3 Molecular Weight
441.119 g/mol
Synonyms/Alias
N/A (Not available)
InChI Key
JGORQZKQHPVGIP-UHFFFAOYSA-N
InChI
InChI=1S/C17H15Br2NO3/c18-12-7-10-1-3-14(12)23-15-9-11(8-13(19)17(15)22)5-6-20-16(21)4-2-10/h1,3,7-9...
IUPAC Name
5,16-dibromo-4-hydroxy-2-oxa-10-azatricyclo[12.2.2.13,7]nonadeca-1(16),3,5,7(19),14,17-hexaen-11-one
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
38 40 0 0 0 0 0 0 0 0999 V2000
3.9486 2.7290 0.7677 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3518 1.4842 0.5664 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0571 0.314...
Experimental Data
Activity Data
Target Ion Channel
Ryanodine receptor 1
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 11000 nM
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
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
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
23
Rotatable Bonds
0
logP
4.3144
Complexity
95.0575
TPSA (Ų)
58.56
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
4