Molecular Details
DICL_CP_0354295
- 4-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chlorobenzonitrile
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0354295
PubChem CID
Molecular Formula
C21H22ClN3O Molecular Weight
367.88 g/mol
Synonyms/Alias
[SAR7334; 1333210-07-3; CPA-1588; 4-(((1R;2R)-2-((R)-3-aminopiperidin-1-yl)-2;3-dihydro-1H-inden-1-yl)oxy)-3-chlorobenzonitrile; Benzonitrile; 4-[[(1R;2R)-2-[(3R)-3-aMino-1-piperidinyl]-2;3-dihydro-1H...
InChI Key
RLKRLNQEXBPQGQ-OZOXKJRCSA-N
InChI
InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-...
IUPAC Name
4-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chlorobenzonitrile
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
48 51 0 0 0 0 0 0 0 0999 V2000
-0.8602 0.9279 -3.2005 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6744 0.9610 -3.2442 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2637 1.848...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 7
Uniprot Accession Number
Function
Inhibitor
Species
Mus musculus (Mouse)
IC50
IC50: 226 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 7.35
Holding Potential
Not specified
Temperature
Room Temperature
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK cell
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
26
Rotatable Bonds
3
logP
3.6796
Complexity
102.2524
TPSA (Ų)
62.28
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
4