Molecular Details
DICL_CP_0312400
- (NZ)-N-[(E)-1-(4-fluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312400
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
-3.3636 -1.3207 0.5070 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0251 -0.9267 -0.9266 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0748 0.238...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 2
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
HEK-293F cell
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
2APB, 85 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