Molecular Details
DICL_CP_0331496
- 5-(4-chlorophenyl)-N-(3-methylphenyl)furan-3-carboxamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0331496
PubChem CID
Molecular Formula
C18H14ClNO2 Molecular Weight
311.768 g/mol
Synonyms/Alias
[CHEMBL254384; BDBM50371247]
InChI Key
IIFLBSPFMNFHBT-UHFFFAOYSA-N
InChI
InChI=1S/C18H14ClNO2/c1-12-3-2-4-16(9-12)20-18(21)14-10-17(22-11-14)13-5-7-15(19)8-6-13/h2-11H,1H3,(...
IUPAC Name
5-(4-chlorophenyl)-N-(3-methylphenyl)furan-3-carboxamide
CAS Number
1083418-35-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
36 38 0 0 0 0 0 0 0 0999 V2000
-5.9185 -0.9597 1.0083 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.0178 0.1581 0.5727 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.6744 -0.099...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 10 subunit alpha
Uniprot Accession Number
Function
Blocker
Species
Mus musculus (Mouse)
IC50
IC50: 20000 nM
EC50
N/A (Not available)
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
Extracellular solution pH 7.4/Intracellular solution pH 7.2
Holding Potential
−100 mV mV
Temperature
21−25 °C
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Transmembrane domain
Binding Site Residue
Not specified
Disease Information
Related Disease
neuropathic and inflammatory pain
References
Computed Properties
Heavy Atom Count
22
Rotatable Bonds
3
logP
5.1607
Complexity
88.2862
TPSA (Ų)
42.24
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3