Molecular Details
DICL_CP_0323294
- (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0323294
PubChem CID
Molecular Formula
C17H17NO3 Molecular Weight
283.327 g/mol
Synonyms/Alias
[CHEMBL77195; SCHEMBL2875338; BDBM50231209; NSC818742; NSC-818742]
InChI Key
ONVACOXORQBMCU-CSKARUKUSA-N
InChI
InChI=1S/C17H17NO3/c1-21-16-11-14(7-9-15(16)19)12-18-17(20)10-8-13-5-3-2-4-6-13/h2-11,19H,12H2,1H3,(...
IUPAC Name
(E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3-phenylprop-2-enamide
CAS Number
282089-49-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
38 39 0 0 0 0 0 0 0 0999 V2000
5.2752 -1.6594 0.4452 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9524 -0.6925 -0.5490 O 0 0 0 0 0 0 0 0 0 0 0 0
3.9596 0.290...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 1/2/4
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 11800 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
Guinea Pig
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
5
logP
2.7304
Complexity
81.9815
TPSA (Ų)
58.56
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
2