Molecular Details
DICL_CP_0318172
- 1-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0318172
PubChem CID
Molecular Formula
C17H21NO Molecular Weight
255.361 g/mol
Synonyms/Alias
[423735-26-6; (4-ETHYLBENZYL)(4-METHOXYBENZYL)AMINE; 1-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]methanamine; STK232545; CHEMBRDG-BB 5945416; Oprea1_689159; DTXSID50357970; AKOS000233125; DB-200302; ...
InChI Key
RWOHMHDHUUKDHW-UHFFFAOYSA-N
InChI
InChI=1S/C17H21NO/c1-3-14-4-6-15(7-5-14)12-18-13-16-8-10-17(19-2)11-9-16/h4-11,18H,3,12-13H2,1-2H3
IUPAC Name
1-(4-ethylphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
CAS Number
1456602-51-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
40 41 0 0 0 0 0 0 0 0999 V2000
-6.6845 -1.0527 -0.6650 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4476 -1.7203 -0.0734 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2472 -0.820...
Experimental Data
Activity Data
Target Ion Channel
G protein activated inward rectifier potassium channel 1/4
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
N/A (Not available)
EC50
EC50: >30000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 8.5
Holding Potential
−100 to 100 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
D172 and I176 within M2 segment of Inward rectifier potassium channel 2; (Kir)
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
19
Rotatable Bonds
6
logP
3.5474
Complexity
79.3577
TPSA (Ų)
21.26
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2