Molecular Details
DICL_CP_0314412
- 2-diphenylboranyloxyethanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314412
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
33 34 0 0 0 0 0 0 0 0999 V2000
0.0475 -0.0321 -0.4396 B 0 0 0 0 0 0 0 0 0 0 0 0
-0.2148 1.5241 -0.6008 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8456 2.425...
Experimental Data
Activity Data
Target Ion Channel
Voltage-gated potassium channel subfamily A member 4-truncation )
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
23.1% Inhibition (100 μM)
Experimental Conditions
pH
Not mention
Holding Potential
−80 mV mV
Temperature
25 ± 1 °C
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Across the membrane
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