Molecular Details
DICL_CP_0314434
- 2-diphenylboranyloxyethanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0314434
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
0.0795 0.1806 0.2570 B 0 0 0 0 0 0 0 0 0 0 0 0
-0.3765 1.6633 -0.0748 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5868 2.631...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 2
Uniprot Accession Number
Function
Agonist
Species
Homo sapiens (Human)
IC50
IC50: 150000 nM
EC50
N/A (Not available)
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
Not mention
Test Method
Binding assay
Test Species
A375 cell
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