Molecular Details
DICL_CP_0360894
- 8-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-7H-[13]oxazino[65-g][123]benzotriazine-49-dione
Basic Molecular Information
Basic Information
DICL ID
DICL_CP_0360894
PubChem CID
Molecular Formula
C20H17FN4O3 Molecular Weight
380.379 g/mol
Synonyms/Alias
[Tulrampator; 1038984-31-4; Tulrampator [INN]; 7633T9D4LN; 8-CYCLOPROPYL-3-(3-FLUOROPHENETHYL)-78-DIHYDRO-3H-[13]OXAZINO[65:45]BENZO[12-D][123]TRIAZINE-49-DIONE; CX-1632; 3H-[13]Oxazino[65-g]-123-benz...
InChI Key
JHCFQXNWYDLBOG-UHFFFAOYSA-N
InChI
InChI=1S/C20H17FN4O3/c21-13-3-1-2-12(8-13)6-7-25-20(27)15-10-18-16(9-17(15)22-23-25)19(26)24(11-28-1...
IUPAC Name
8-cyclopropyl-3-[2-(3-fluorophenyl)ethyl]-7H-[13]oxazino[65-g][123]benzotriazine-49-dione
CAS Number
1038984-31-4
Structure Information
Chemical Structure Visualization
SMILES Notation
2D Molecular Drawing
Carbon (C)
Hydrogen (H)
Oxygen (O)
Nitrogen (N)
Sulfur (S)
SDF
45 49 0 0 0 0 0 0 0 0999 V2000
-7.6354 -1.1419 0.0628 C 0 0 0 0 0 0 0 0 0 0 0 0
-7.4374 0.1840 0.7749 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.8171 -0.040...
Experimental Data
Activity Data
Target Ion Channel
Ionotropic glutamate receptors subunit GluA4
Uniprot Accession Number
Function
Agonist
Species
Rattus norvegicus (Rat)
IC50
N/A (Not available)
EC50
EC50: 700 nM
Ki
N/A (Not available)
Kd
N/A (Not available)
Inhibition
N/A (Not available)
Experimental Conditions
pH
pH 7.4
Holding Potential
−80 mV mV
Temperature
18–20 °C
Test Method
Patch-clamping
Test Species
Xenopus laevis oocyte
Binding Information
Binding Site
Not specified
Binding Site Residue
Not specified
Disease Information
Related Disease
Not specified
References
Computed Properties
Heavy Atom Count
28
Rotatable Bonds
4
logP
2.1278
Complexity
98.5885
TPSA (Ų)
77.32
H-Bond Donors
0
H-Bond Acceptors
6
Ring Count
5