Molecular Details
DICL_CP_0337748
- 1-[4-(4-fluorophenyl)-2-(triazol-2-yl)cyclopentyl]piperidin-3-amine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0337748
PubChem CID
Molecular Formula
C18H24FN5 Molecular Weight
329.423 g/mol
Synonyms/Alias
[SCHEMBL21550295; US11274091; Example 1; BDBM542002; 1-[4-(4-fluorophenyl)-2-(triazol-2-yl)cyclopentyl]piperidin- 3-amine]
InChI Key
KFJNTKXUHMJOFT-UHFFFAOYSA-N
InChI
InChI=1S/C18H24FN5/c19-15-5-3-13(4-6-15)14-10-17(23-9-1-2-16(20)12-23)18(11-14)24-21-7-8-22-24/h3-8,...
IUPAC Name
1-[4-(4-fluorophenyl)-2-(triazol-2-yl)cyclopentyl]piperidin-3-amine
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
24 27 0 0 0 0 0 0 0 0999 V2000
-4.6883 0.9247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7320 2.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4553 3...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 6
Uniprot Accession Number
Function
Antagonist
Species
Homo sapiens (Human)
IC50
IC50: 3.37 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Extracellular solution pH 7.4/Intracellular solution pH 7.2-7.25
Holding Potential
100 mV mV
Temperature
22 °C
Test Method
Patch-clamping
Test Species
HEK293 cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
DOI
N/A (Not available)
URL
N/A (Not available)
PMID
N/A (Not available)
Patent
US11274091
Computed Properties
Heavy Atom Count
24
Rotatable Bonds
3
logP
2.3276
Complexity
90.0044
TPSA (Ų)
59.97
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
4