Molecular Details
DICL_CP_0337190
- 8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0337190
PubChem CID
Molecular Formula
C18H18ClN3O Molecular Weight
327.815 g/mol
Synonyms/Alias
[loxapine; 1977-10-2; Cloxazepine; Oxilapine; Loxitane; Loxapin; Dibenzacepin; Dibenzoazepine; Adasuve; Loxapina; Loxapinum; Hydrofluoride 3170; SUM 3170; CL-62362; Lossapina; Loxapinum [INN-Latin]; L...
InChI Key
XJGVXQDUIWGIRW-UHFFFAOYSA-N
InChI
InChI=1S/C18H18ClN3O/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,1...
IUPAC Name
8-chloro-6-(4-methylpiperazin-1-yl)benzo[b][1,4]benzoxazepine
CAS Number
1977-10-2
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
41 44 0 0 0 0 0 0 0 0999 V2000
-4.9325 -1.1473 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5485 -0.7513 -0.4057 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.0128 -1.551...
Experimental Data
Activity Data
Target Ion Channel
Potassium channel subfamily T member 1 (Slo2.2)
Uniprot Accession Number
Function
Activator
Species
Homo sapiens (Human)
IC50
IC50: 4400 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
−90 to 20 mV mV
Temperature
Room Temperature
Test Method
Patch-clamping
Test Species
CHO cell (Chinese hamster ovary cell)
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
23
Rotatable Bonds
0
logP
3.7714
Complexity
93.235
TPSA (Ų)
28.07
H-Bond Donors
0
H-Bond Acceptors
4
Ring Count
4