Molecular Details
DICL_CP_0361792
- [2-(4-chloro-2-fluoroanilino)-5-methyl-1,3-thiazol-4-yl]-[(2S,3S)-2,3-dimethylpiperidin-1-yl]metha
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0361792
PubChem CID
Molecular Formula
C18H21ClFN3OS Molecular Weight
381.904 g/mol
Synonyms/Alias
[Short transient receptor potential channel 3/6-IN-3; CHEMBL2418811; GSK2833503A; 1366234-01-6; SCHEMBL798463; GTPL10284; BDBM50439217; GSK 2833503A; AKOS040758535; example 19 [PMID: 23886683]; HY-120...
InChI Key
ODUIXUGXPFKQLG-QWRGUYRKSA-N
InChI
InChI=1S/C18H21ClFN3OS/c1-10-5-4-8-23(11(10)2)17(24)16-12(3)25-18(22-16)21-15-7-6-13(19)9-14(15)20/h...
IUPAC Name
[2-(4-chloro-2-fluoroanilino)-5-methyl-1,3-thiazol-4-yl]-[(2S,3S)-2,3-dimethylpiperidin-1-yl]metha
CAS Number
1366234-01-6
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
-3.6316 1.0208 2.1800 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5288 0.0285 1.0115 C 0 0 1 0 0 0 0 0 0 0 0 0
-4.7573 0.131...
Experimental Data
Activity Data
Target Ion Channel
Short transient receptor potential channel 3
Uniprot Accession Number
Function
Blocker
Species
Mus musculus (Mouse)
IC50
IC50: 21 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
25
Rotatable Bonds
3
logP
5.2482
Complexity
100.4402
TPSA (Ų)
45.23
H-Bond Donors
1
H-Bond Acceptors
4
Ring Count
3