Molecular Details
DICL_CP_0334181
- 4-[(1R2R)-2-[(3R)-3-aminopiperidin-1-yl]cyclopentyl]oxy-3-chlorobenzonitrile
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0334181
PubChem CID
Molecular Formula
C17H22ClN3O Molecular Weight
319.836 g/mol
Synonyms/Alias
[CHEMBL4125839; BDBM50273081]
InChI Key
ZXODGFWEXLCIQQ-FRFSOERESA-N
InChI
InChI=1S/C17H22ClN3O/c18-14-9-12(10-19)6-7-16(14)22-17-5-1-4-15(17)21-8-2-3-13(20)11-21/h6-7,9,13,15...
IUPAC Name
4-[(1R2R)-2-[(3R)-3-aminopiperidin-1-yl]cyclopentyl]oxy-3-chlorobenzonitrile
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
0.1275 -3.1995 -2.3611 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9428 -2.4227 -1.6143 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2504 -1.112...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 6
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 660 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
22
Rotatable Bonds
3
logP
2.9347
Complexity
87.0044
TPSA (Ų)
62.28
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3