Molecular Details
DICL_CP_0321282
- 2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0321282
PubChem CID
Molecular Formula
C10H12BrNO3 Molecular Weight
274.114 g/mol
Synonyms/Alias
[CHEMBL76731; BDBM50231185]
InChI Key
SOHQQYJBTNSAKU-UHFFFAOYSA-N
InChI
InChI=1S/C10H12BrNO3/c1-15-9-4-7(2-3-8(9)13)6-12-10(14)5-11/h2-4,13H,5-6H2,1H3,(H,12,14)
IUPAC Name
2-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]acetamide
CAS Number
142713-64-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
27 27 0 0 0 0 0 0 0 0999 V2000
-2.6128 2.0035 -2.0917 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0490 1.2622 -0.9569 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.2645 0.319...
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: >100000 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
15
Rotatable Bonds
4
logP
1.4119
Complexity
60.2995
TPSA (Ų)
58.56
H-Bond Donors
2
H-Bond Acceptors
3
Ring Count
1