Molecular Details
DICL_CP_0311895
- 2-methyl-5-phenylfuran-3-carboxylic acid
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0311895
PubChem CID
Molecular Formula
C12H10O3 Molecular Weight
202.209 g/mol
Synonyms/Alias
[2-methyl-5-phenylfuran-3-carboxylic acid; 108124-17-0; 2-Methyl-5-phenyl-3-furoic acid; Jedi1; CHEMBL5208985; 2-methyl-5-phenyl-furan-3-carboxylic acid; 3-Furancarboxylic acid; 2-methyl-5-phenyl-; CD...
InChI Key
VLMNACSEESRUAK-UHFFFAOYSA-N
InChI
InChI=1S/C12H10O3/c1-8-10(12(13)14)7-11(15-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,13,14)
IUPAC Name
2-methyl-5-phenylfuran-3-carboxylic acid
CAS Number
108124-17-0
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
25 26 0 0 0 0 0 0 0 0999 V2000
-3.1499 1.6720 -0.7387 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0082 0.7770 -0.3807 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0766 -0.439...
Experimental Data
Activity Data
Target Ion Channel
Piezo1
Uniprot Accession Number
Function
Agonist
Species
Mus musculus (Mouse)
IC50
N/A (Not available)
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
Kd: 2754000 nM
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
15
Rotatable Bonds
2
logP
2.9532
Complexity
55.8403
TPSA (Ų)
50.44
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
2