Molecular Details
DICL_CP_0373917
- 4-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0373917
PubChem CID
Molecular Formula
C18H17N3O4S2 Molecular Weight
403.485 g/mol
Synonyms/Alias
[CHEMBL3930997; SCHEMBL15202144; RYLUHGPGZUQBML-UHFFFAOYSA-N; BDBM231458; PD191704; US9346798; 205; 4-(2-methoxyphenyl)-N-(thiazol-2-yl)-3;4-dihydro-2H-benzo[b][1;4]oxazine-7-sulfonamide]
InChI Key
RYLUHGPGZUQBML-UHFFFAOYSA-N
InChI
InChI=1S/C18H17N3O4S2/c1-24-16-5-3-2-4-14(16)21-9-10-25-17-12-13(6-7-15(17)21)27(22,23)20-18-19-8-11...
IUPAC Name
4-(2-methoxyphenyl)-N-(1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
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
27 30 0 0 0 0 0 0 0 0999 V2000
7.2080 0.3437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7108 0.4350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.8831 -0...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 5 subunit alpha
Uniprot Accession Number
Function
Inhibitor
Species
Rattus norvegicus (Rat)
IC50
IC50: >30000 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
−125 mV mV
Temperature
Not mention
Test Method
Patch-clamping
Test Species
HEK295 cell
Binding Information
Binding Site
Extracellular domain
Binding Site Residue
unknown
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
27
Rotatable Bonds
5
logP
3.483
Complexity
104.8595
TPSA (Ų)
80.76
H-Bond Donors
1
H-Bond Acceptors
7
Ring Count
4