Molecular Details
DICL_CP_0313195
- 2-(2-phenylphenoxy)ethanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313195
PubChem CID
Molecular Formula
C14H15NO Molecular Weight
213.28 g/mol
Synonyms/Alias
[23314-13-8; 2-(biphenyl-2-yloxy)ethanamine; 2-(2-phenylphenoxy)ethanamine; 2-([1;1-Biphenyl]-2-yloxy)ethanamine; 2-(2-biphenylyloxy)ethanamine; Oprea1_806141; SCHEMBL132268; CHEMBL1616175; HQNCHQRPPC...
InChI Key
HQNCHQRPPCLSCC-UHFFFAOYSA-N
InChI
InChI=1S/C14H15NO/c15-10-11-16-14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9H,10-11,15H2
IUPAC Name
2-(2-phenylphenoxy)ethanamine
CAS Number
1398695-47-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
31 32 0 0 0 0 0 0 0 0999 V2000
-3.0579 2.6524 0.3768 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4120 1.7369 -0.6175 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7515 0.507...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 3
Uniprot Accession Number
Function
Activator
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
EC50: 28000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−80 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
16
Rotatable Bonds
4
logP
2.6911
Complexity
66.4274
TPSA (Ų)
35.25
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2