Molecular Details
DICL_CP_0338516
- [2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)metha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0338516
PubChem CID
Molecular Formula
C17H21N3O2S Molecular Weight
331.441 g/mol
Synonyms/Alias
[CHEMBL2418820; {2-[(4-methoxyphenyl)amino]-1;3-thiazol-4-yl}(4-methylpiperidin-1-yl)metha; BDBM50439230; STK101509; [2-(4-methoxyanilino)-1;3-thiazol-4-yl]-(4-methylpiperidin-1-yl)metha; Z1250808257]
InChI Key
QHHMGNMLPPWWIO-UHFFFAOYSA-N
InChI
InChI=1S/C17H21N3O2S/c1-12-7-9-20(10-8-12)16(21)15-11-23-17(19-15)18-13-3-5-14(22-2)6-4-13/h3-6,11-1...
IUPAC Name
[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-(4-methylpiperidin-1-yl)metha
CAS Number
736945-96-3
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
-3.9362 -0.6609 -1.5702 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4396 0.7398 -1.1851 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2542 1.710...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 3
Uniprot Accession Number
Function
Blocker
Species
Homo sapiens (Human)
IC50
IC50: 800 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
4
logP
3.7674
Complexity
92.6922
TPSA (Ų)
54.46
H-Bond Donors
1
H-Bond Acceptors
5
Ring Count
3