Molecular Details
DICL_CP_0313766
- (4-fluorophenyl)-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0313766
PubChem CID
Molecular Formula
C12H14FN3 Molecular Weight
219.263 g/mol
Synonyms/Alias
[CHEMBL477596; 3-(4-Fluorophenylazo)-1-methyl-1;4;5;6-tetrahydropyridine; (4-fluorophenyl)-(1-methyl-3;4-dihydro-2H-pyridin-5-yl)diazene]
InChI Key
RYCJDTDYJFAPAF-UHFFFAOYSA-N
InChI
InChI=1S/C12H14FN3/c1-16-8-2-3-12(9-16)15-14-11-6-4-10(13)5-7-11/h4-7,9H,2-3,8H2,1H3
IUPAC Name
(4-fluorophenyl)-(1-methyl-3,4-dihydro-2H-pyridin-5-yl)diazene
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
30 31 0 0 0 0 0 0 0 0999 V2000
-3.9973 -1.9957 1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1830 -0.8993 0.5307 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.8093 0.381...
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: 2.2 (4αPDD as agonist) 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
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
CHO-K1 cell (Chinese Hamster Ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
16
Rotatable Bonds
2
logP
3.4764
Complexity
60.863
TPSA (Ų)
27.96
H-Bond Donors
0
H-Bond Acceptors
3
Ring Count
2