Molecular Details
DICL_CP_0312470
- 2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0312470
PubChem CID
Molecular Formula
C10H8O3S Molecular Weight
208.238 g/mol
Synonyms/Alias
[Jedi2; 651005-90-2; 2-Methyl-5-(thien-2-yl)-3-furoic acid; 2-methyl-5-(thiophen-2-yl)furan-3-carboxylic acid; 2-Methyl-5-(2-thienyl)-3-furancarboxylic acid; 2-methyl-5-(2-thienyl)-3-furoic acid; CHEM...
InChI Key
YXDCRSXNEOKXDE-UHFFFAOYSA-N
InChI
InChI=1S/C10H8O3S/c1-6-7(10(11)12)5-8(13-6)9-3-2-4-14-9/h2-5H,1H3,(H,11,12)
IUPAC Name
2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid
CAS Number
651005-90-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
22 23 0 0 0 0 0 0 0 0999 V2000
-2.6639 -1.5325 -0.3046 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5140 -0.5931 -0.1377 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5761 0.784...
Experimental Data
Activity Data
Target Ion Channel
Piezo1
Uniprot Accession Number
Function
Agonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
EC50: 158000 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.3
Holding Potential
−70 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
HEK293T cell (Homo sapiens embryonic kidney 293T cell)
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
14
Rotatable Bonds
2
logP
3.0147
Complexity
53.7173
TPSA (Ų)
50.44
H-Bond Donors
1
H-Bond Acceptors
3
Ring Count
2