Molecular Details
DICL_CP_0324564
- (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0324564
PubChem CID
Molecular Formula
C16H14ClNO2 Molecular Weight
287.746 g/mol
Synonyms/Alias
[472981-92-3; SB-366791; SB 366791; SB366791; 4-CHLORO-3-METHOXYCINNAMANILIDE; N-(3-Methoxyphenyl)-4-chlorocinnamide; (2E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide; (e)-3-(4-chlorophenyl)-...
InChI Key
RYAMDQKWNKKFHD-JXMROGBWSA-N
InChI
InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/...
IUPAC Name
(E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
CAS Number
472981-92-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
34 35 0 0 0 0 0 0 0 0999 V2000
6.3909 1.0370 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9690 0.9710 -0.5394 O 0 0 0 0 0 0 0 0 0 0 0 0
4.2332 0.228...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 1
Uniprot Accession Number
Function
Agonist
Species
Cavia porcellus (Guinea pig)
IC50
N/A (Not available)
EC50
EC50: 20 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.2
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
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
20
Rotatable Bonds
4
logP
4.0005
Complexity
82.1097
TPSA (Ų)
38.33
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2