Molecular Details
DICL_CP_0312406
- (NE)-N-[(E)-1-(4-fluorophenyl)-2-methylpent-1-en-3-ylidene]hydroxylamine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312406
PubChem CID
Molecular Formula
C12H14FNO Molecular Weight
207.248 g/mol
Synonyms/Alias
[1170613-55-4; A 967079; 1-Penten-3-one; 1-(4-fluorophenyl)-2-methyl-; oxime; (1E,3E)-; (1E,3E)-1-(4-Fluorophenyl)-2-methyl-1-penten-3-one oxime; S15N98QQ2K; (1e,3e)-1-(4-fluorophenyl)-2-methylpent-1-...
InChI Key
HKROEBDHHKMNBZ-CHBKHGQFSA-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
(NE)-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
15 15 0 0 0 0 0 0 0 0999 V2000
-4.6756 -1.6212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2036 -1.3331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7171 0...
Experimental Data
Activity Data
Target Ion Channel
Transient receptor potential cation channel subfamily V member 4
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: >10000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Not mention
Holding Potential
Not specified
Temperature
30 °C
Test Method
Fluorescence assay
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
treatment of a respiratory disorder
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US9186360
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