Molecular Details
DICL_CP_0324038
- 4-[(1R2R)-2-[(3R)-3-aminopiperidin-1-yl]cyclopentyl]oxybenzonitrile
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0324038
PubChem CID
Molecular Formula
C17H23N3O Molecular Weight
285.391 g/mol
Synonyms/Alias
[CHEMBL4129133; BDBM50272970]
InChI Key
FOGQOGQUHVIMAL-DJIMGWMZSA-N
InChI
InChI=1S/C17H23N3O/c18-11-13-6-8-15(9-7-13)21-17-5-1-4-16(17)20-10-2-3-14(19)12-20/h6-9,14,16-17H,1-...
IUPAC Name
4-[(1R2R)-2-[(3R)-3-aminopiperidin-1-yl]cyclopentyl]oxybenzonitrile
CAS Number
1333210-07-3
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
44 46 0 0 0 0 0 0 0 0999 V2000
2.8604 -1.3257 0.3061 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5873 -2.1108 -0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6420 -1.107...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 6
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 500 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
37 °C
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK293 cell (Homo sapiens embryonic kidney 293 cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
21
Rotatable Bonds
3
logP
2.2813
Complexity
81.9944
TPSA (Ų)
62.28
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3