Molecular Details
DICL_CP_0379291
- [5-chloro-2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]-(2,3-dimethylpiperidin-1-yl)metha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0379291
PubChem CID
Molecular Formula
C18H19ClFN3O3S Molecular Weight
411.886 g/mol
Synonyms/Alias
[GSK2332255B; CHEMBL2418809; 1366233-41-1; GSK255B; SCHEMBL10087861; GTPL12529; BDBM50439218; AKOS040756692; example 17 [PMID: 23886683]; HY-121519; CS-0082450; [5-chloro-2-[(6-fluoro-1;3-benzodioxol-...
InChI Key
GGKQWFQQUMWVOB-UHFFFAOYSA-N
InChI
InChI=1S/C18H19ClFN3O3S/c1-9-4-3-5-23(10(9)2)17(24)15-16(19)27-18(22-15)21-12-7-14-13(6-11(12)20)25-...
IUPAC Name
[5-chloro-2-[(6-fluoro-1,3-benzodioxol-5-yl)amino]-1,3-thiazol-4-yl]-(2,3-dimethylpiperidin-1-yl)metha
CAS Number
1366233-41-1
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
46 49 0 0 0 0 0 0 0 0999 V2000
-3.9798 0.1151 2.0738 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.6830 -0.2724 0.7607 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.8581 0.961...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 3
Uniprot Accession Number
Function
Blocker
Species
Mus musculus (Mouse)
IC50
IC50: 5 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 7.4
Holding Potential
Not mention mV
Temperature
37 °C
Test Method
Patch-clamping
Test Species
HEK293T cell (Homo sapiens embryonic kidney 293T cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
27
Rotatable Bonds
3
logP
4.6685
Complexity
101.8262
TPSA (Ų)
63.69
H-Bond Donors
1
H-Bond Acceptors
6
Ring Count
4