Molecular Details
DICL_CP_0312403
- (NZ)-N-[(E)-1-(4-fluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312403
PubChem CID
Molecular Formula
C12H14FNO Molecular Weight
207.248 g/mol
Synonyms/Alias
[A-967079; 1170613-55-4; (1E;3E)-1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oxime; A967079; (1e;3e)-1-(4-fluorophenyl)-2-methylpent-1-en-3-one oxime; 1357350-70-9; GTPL6280; SCHEMBL4451714; CHEMBL3697...
InChI Key
HKROEBDHHKMNBZ-BYKJOZEVSA-N
InChI
InChI=1S/C12H14FNO/c1-3-12(14-15)9(2)8-10-4-6-11(13)7-5-10/h4-8,15H,3H2,1-2H3/b9-8+,14-12-
IUPAC Name
(NZ)-N-[(E)-1-(4-fluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
CAS Number
1170613-55-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
29 29 0 0 0 0 0 0 0 0999 V2000
-3.7394 0.4366 -0.5635 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8509 -0.7532 -0.9098 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9366 -1.081...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 3
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: >100000 nM
EC50
N/A (Not available)
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
Not mention
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
Homo sapiens epithelial cell
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
2APB, 100 lmol/L
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
15
Rotatable Bonds
3
logP
3.4692
Complexity
59.5635
TPSA (Ų)
32.59
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
1