Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H21FN6O3 |
| Molecular Weight | 439.4574 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[2H]C([2H])([2H])NC(=O)C1=CN=C(NC(=O)C2CC2)C=C1NC3=CC=CC(C4=NC=C(F)C=N4)=C3OC
InChI
InChIKey=BBRMAVGRWHNAIG-FIBGUPNXSA-N
InChI=1S/C22H21FN6O3/c1-24-22(31)15-11-25-18(29-21(30)12-6-7-12)8-17(15)28-16-5-3-4-14(19(16)32-2)20-26-9-13(23)10-27-20/h3-5,8-12H,6-7H2,1-2H3,(H,24,31)(H2,25,28,29,30)/i1D3
| Molecular Formula | C22H21FN6O3 |
| Molecular Weight | 439.4574 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:00:10 GMT 2023
by
admin
on
Sat Dec 16 19:00:10 GMT 2023
|
| Record UNII |
J2Q5XQZ64C
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Code | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
155981972
Created by
admin on Sat Dec 16 19:00:11 GMT 2023 , Edited by admin on Sat Dec 16 19:00:11 GMT 2023
|
PRIMARY | |||
|
1771691-34-9
Created by
admin on Sat Dec 16 19:00:11 GMT 2023 , Edited by admin on Sat Dec 16 19:00:11 GMT 2023
|
PRIMARY | |||
|
J2Q5XQZ64C
Created by
admin on Sat Dec 16 19:00:11 GMT 2023 , Edited by admin on Sat Dec 16 19:00:11 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
TYK2 JH2 LIGAND. ENZYMATIC ASSAY. > 10000 FOLD SELECTIVITY VERSUS 273 KINASES.
IC50
|
||
|
TARGET -> INHIBITOR |
TYK2 JH2 LIGAND
Ki
|
||
|
BINDER->LIGAND |
BINDING
|
||
|
TARGET -> INHIBITOR |
IL-23 stimulated reporter assay (in Kit225 T cells).
DOWNSTREAM INHIBITOR
IC50
|
||
|
TARGET -> INHIBITOR |
Other IFNα's should also be inhibited. IFNα stimulated luciferase reporter assay in Kit225 T cells.
DOWNSTREAM INHIBITOR
IC50
|
||
|
OFF-TARGET->INHIBITOR |
IC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ACTIVE MOIETY |
|
