Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C23H20N6O3 |
| Molecular Weight | 428.4433 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C(NCC#N)C1=CC=C(C=C1)C2=CC=NC(NC3=CC=C(C=C3)N4CCOCC4=O)=N2
InChI
InChIKey=GCOZTZVZABCZPR-UHFFFAOYSA-N
InChI=1S/C23H20N6O3/c24-10-12-25-22(31)17-3-1-16(2-4-17)20-9-11-26-23(28-20)27-18-5-7-19(8-6-18)29-13-14-32-15-21(29)30/h1-9,11H,12-15H2,(H,25,31)(H,26,27,28)
| Molecular Formula | C23H20N6O3 |
| Molecular Weight | 428.4433 |
| 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
Wed Apr 02 05:36:20 GMT 2025
by
admin
on
Wed Apr 02 05:36:20 GMT 2025
|
| Record UNII |
98KDC0ZGX2
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Systematic Name | English | ||
|
Preferred Name | English | ||
|
Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
118574199
Created by
admin on Wed Apr 02 05:36:20 GMT 2025 , Edited by admin on Wed Apr 02 05:36:20 GMT 2025
|
PRIMARY | |||
|
1841094-23-2
Created by
admin on Wed Apr 02 05:36:20 GMT 2025 , Edited by admin on Wed Apr 02 05:36:20 GMT 2025
|
PRIMARY | |||
|
98KDC0ZGX2
Created by
admin on Wed Apr 02 05:36:20 GMT 2025 , Edited by admin on Wed Apr 02 05:36:20 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
EC50
|
||
|
TARGET -> INHIBITOR |
EC50
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE ACTIVE |
Metabolite M21 was 2- to 3-fold less active than MMB for inhibition of JAK1/2 and ACVR1 in vitro. However, on the basis of the PAI assessment, M21 is anticipated to contribute significantly to the pharmacological activity of MMB, not only as a JAK1/2 inhibitor but also as an ACVR1 inhibitor
MAJOR
PLASMA
|
||
|
PRODRUG -> METABOLITE ACTIVE |
MAJOR
URINE
|
||
|
PARENT -> METABOLITE ACTIVE |
MAJOR
URINE
|
||
|
PARENT -> METABOLITE ACTIVE |
MAJOR
FECAL
|
| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| Biological Half-life | PHARMACOKINETIC |
|
|
|||
| Tmax | PHARMACOKINETIC |
|
|
|||