Molecular Details
DICL_CP_0337805
- (2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]metha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0337805
PubChem CID
Molecular Formula
C18H23N3OS Molecular Weight
329.469 g/mol
Synonyms/Alias
[CHEMBL2418806; SCHEMBL789503; BDBM50439221]
InChI Key
YKFSMOUFOXUQLG-UHFFFAOYSA-N
InChI
InChI=1S/C18H23N3OS/c1-12-6-8-15(9-7-12)19-18-20-16(11-23-18)17(22)21-10-4-5-13(2)14(21)3/h6-9,11,13...
IUPAC Name
(2,3-dimethylpiperidin-1-yl)-[2-(4-methylanilino)-1,3-thiazol-4-yl]metha
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
46 48 0 0 0 0 0 0 0 0999 V2000
-5.7141 1.7746 -0.1452 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4214 1.0559 0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5536 0.424...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 3
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 250 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
Not mention
Test Method
Fluorometric Imaging Plate Reader (FLIPR) Membrane Potential Assay
Test Species
HEK cell
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
23
Rotatable Bonds
3
logP
4.4557
Complexity
95.4722
TPSA (Ų)
45.23
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3