Molecular Details
DICL_CP_0331196
- 5-(4-chlorophenyl)-N-(3-methylphenyl)furan-2-carboximidamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0331196
PubChem CID
Molecular Formula
C18H15ClN2O Molecular Weight
310.784 g/mol
Synonyms/Alias
[CHEMBL539863; CHEMBL1189994; BDBM50231782; 5-(4-chlorophenyl)-N-(3-methylphenyl)furan-2-carboxamidine hydrochloride]
InChI Key
GFJDLBNTAHKMMU-UHFFFAOYSA-N
InChI
InChI=1S/C18H15ClN2O/c1-12-3-2-4-15(11-12)21-18(20)17-10-9-16(22-17)13-5-7-14(19)8-6-13/h2-11H,1H3,(...
IUPAC Name
5-(4-chlorophenyl)-N-(3-methylphenyl)furan-2-carboximidamide
CAS Number
N/A (Not available)
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
37 39 0 0 0 0 0 0 0 0999 V2000
-5.3710 2.3504 -0.6417 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7094 1.1600 -0.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3454 0.910...
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: 1900 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
DRG neurons
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
4.9454
Complexity
90.7174
TPSA (Ų)
51.52
H-Bond Donors
1
H-Bond Acceptors
2
Ring Count
3