Molecular Details
DICL_CP_0328508
- methyl 2-azido-5-iodobenzoate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0328508
PubChem CID
Molecular Formula
C8H6IN3O2 Molecular Weight
303.059 g/mol
Synonyms/Alias
[methyl 2-azido-5-iodobenzoate; CHEMBL377464; 185505-58-2; DTXSID70658794; BDBM50475841]
InChI Key
QAAWZVVPVQTCBN-UHFFFAOYSA-N
InChI
InChI=1S/C8H6IN3O2/c1-14-8(13)6-4-5(9)2-3-7(6)11-12-10/h2-4H,1H3
IUPAC Name
methyl 2-azido-5-iodobenzoate
CAS Number
185505-58-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
20 20 0 0 0 0 0 0 0 0999 V2000
3.8086 -0.0995 -0.1651 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4621 0.3557 -0.2258 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3697 -0.470...
Experimental Data
Activity Data
Target Ion Channel
Ryanodine receptor 1
Uniprot Accession Number
Function
Inhibitor
Species
Oryctolagus cuniculus (Rabbit)
IC50
IC50: >10000 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 7.1
Holding Potential
Not specified
Temperature
Room Temperature
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
14
Rotatable Bonds
2
logP
3.0196
Complexity
59.3045
TPSA (Ų)
75.06
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
1