Molecular Details
DICL_CP_0314403
- 2-diphenylboranyloxyethanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314403
PubChem CID
Molecular Formula
C14H16BNO Molecular Weight
225.1 g/mol
Synonyms/Alias
[2-Aminoethyl diphenylborinate; 524-95-8; 2-APB; 2-Aminoethoxydiphenylborane; (2-Aminoethoxy)diphenylborane; 2-((Diphenylboryl)oxy)ethanamine; 2-Aminoethoxydiphenylborate; 2-aminoethoxydiphenyl borate...
InChI Key
BLZVCIGGICSWIG-UHFFFAOYSA-N
InChI
InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
IUPAC Name
2-diphenylboranyloxyethanamine
CAS Number
524-95-8
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
17 18 0 0 0 0 0 0 0 0999 V2000
0.0817 -0.4597 0.0000 B 0 0 0 0 0 0 0 0 0 0 0 0
1.5816 -0.4810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3131 -1...
Experimental Data
Activity Data
Target Ion Channel
Inwardly rectifying subfamily J member 13
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 25300 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 7.4
Holding Potential
−140 to 40 mV mV
Temperature
22–25 °C
Test Method
Patch-clamping
Test Species
Guinea pig
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
17
Rotatable Bonds
5
logP
0.7676
Complexity
72.9124
TPSA (Ų)
35.25
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2