Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H12ClF3N5O3S.Na |
| Molecular Weight | 517.844 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC1=CN=C(C(=O)C2=C3C=CNC3=NC=N2)C([N-]S(=O)(=O)C4=CC(=C(Cl)C=C4)C(F)(F)F)=C1
InChI
InChIKey=GJTHOZVZZCTXOH-UHFFFAOYSA-M
InChI=1S/C20H13ClF3N5O3S.Na/c1-10-6-15(29-33(31,32)11-2-3-14(21)13(7-11)20(22,23)24)17(26-8-10)18(30)16-12-4-5-25-19(12)28-9-27-16;/h2-9H,1H3,(H2,25,27,28,29,30);/q;+1/p-1
| Molecular Formula | Na |
| Molecular Weight | 22.98976928 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C20H12ClF3N5O3S |
| Molecular Weight | 494.854 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL4015 Sources: https://www.ncbi.nlm.nih.gov/pubmed/23986513 |
2.3 nM [Kd] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:55:47 GMT 2025
by
admin
on
Mon Mar 31 21:55:47 GMT 2025
|
| Record UNII |
X39CM70JTQ
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Official Name | English | ||
|
Preferred Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
FDA ORPHAN DRUG |
604317
Created by
admin on Mon Mar 31 21:55:47 GMT 2025 , Edited by admin on Mon Mar 31 21:55:47 GMT 2025
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
X39CM70JTQ
Created by
admin on Mon Mar 31 21:55:47 GMT 2025 , Edited by admin on Mon Mar 31 21:55:47 GMT 2025
|
PRIMARY | |||
|
137552094
Created by
admin on Mon Mar 31 21:55:47 GMT 2025 , Edited by admin on Mon Mar 31 21:55:47 GMT 2025
|
PRIMARY | |||
|
JK-58
Created by
admin on Mon Mar 31 21:55:47 GMT 2025 , Edited by admin on Mon Mar 31 21:55:47 GMT 2025
|
PRIMARY | |||
|
C180646
Created by
admin on Mon Mar 31 21:55:47 GMT 2025 , Edited by admin on Mon Mar 31 21:55:47 GMT 2025
|
PRIMARY | |||
|
1100319-36-5
Created by
admin on Mon Mar 31 21:55:47 GMT 2025 , Edited by admin on Mon Mar 31 21:55:47 GMT 2025
|
PRIMARY | |||
|
300000044590
Created by
admin on Mon Mar 31 21:55:47 GMT 2025 , Edited by admin on Mon Mar 31 21:55:47 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
ACTIVE MOIETY |