Molecular Details
DICL_CP_0402556
- 2-[[4-[4-[2-aminoethoxy(phenyl)boranyl]phenyl]phenyl]-phenylboranyl]oxyethanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0402556
PubChem CID
Molecular Formula
C28H30B2N2O2 Molecular Weight
448.184 g/mol
Synonyms/Alias
[CHEMBL603279]
InChI Key
DOMZYEDEROSLRQ-UHFFFAOYSA-N
InChI
InChI=1S/C28H30B2N2O2/c31-19-21-33-29(25-7-3-1-4-8-25)27-15-11-23(12-16-27)24-13-17-28(18-14-24)30(3...
IUPAC Name
2-[[4-[4-[2-aminoethoxy(phenyl)boranyl]phenyl]phenyl]-phenylboranyl]oxyethanamine
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
64 67 0 0 0 0 0 0 0 0999 V2000
5.0083 0.2056 0.4369 B 0 0 0 0 0 0 0 0 0 0 0 0
5.9300 -0.9285 -0.1893 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3853 -2.133...
Experimental Data
Activity Data
Target Ion Channel
Ryanodine receptor 1
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: 14700 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.1
Holding Potential
Not mention mV
Temperature
37 °C
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
34
Rotatable Bonds
11
logP
1.5156
Complexity
144.8188
TPSA (Ų)
70.5
H-Bond Donors
2
H-Bond Acceptors
4
Ring Count
4