Molecular Details
DICL_CP_0320071
- [(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0320071
PubChem CID
Molecular Formula
C10H10ClN5O2 Molecular Weight
267.676 g/mol
Synonyms/Alias
[Cenobamate; Xcopri; 913088-80-9; YKP-3089; YKP3089; Cenobamate [INN]; UNII-P85X70RZWS; P85X70RZWS; [(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] Carbamate; Carbamic acid (R)-(+)-1-(2-chlorophenyl)...
InChI Key
GFHAXPJGXSQLPT-VIFPVBQESA-N
InChI
InChI=1S/C10H10ClN5O2/c11-8-4-2-1-3-7(8)9(18-10(12)17)5-16-14-6-13-15-16/h1-4,6,9H,5H2,(H2,12,17)/t9...
IUPAC Name
[(1R)-1-(2-chlorophenyl)-2-(tetrazol-2-yl)ethyl] carbamate
CAS Number
913088-80-9
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
28 29 0 0 0 0 0 0 0 0999 V2000
2.4119 2.0257 0.7195 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2960 1.3244 1.5360 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1809 -0.059...
Experimental Data
Activity Data
Target Ion Channel
Sodium channel protein type 8 subunit alpha
Uniprot Accession Number
Function
Inhibitor
Species
Homo sapiens (Human)
IC50
IC50: 71690 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 7.5
Holding Potential
70 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
Not specified
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
18
Rotatable Bonds
4
logP
1.1631
Complexity
62.6784
TPSA (Ų)
95.92
H-Bond Donors
1
H-Bond Acceptors
6
Ring Count
2