Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H23N2O5S.Na |
| Molecular Weight | 426.462 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Na+].CC(C)(O)C1=COC(=C1)S(=O)(=O)[N-]C(=O)NC2=C3CCCC3=CC4=C2CCC4
InChI
InChIKey=LFQQNXFKPNZRFT-UHFFFAOYSA-M
InChI=1S/C20H24N2O5S.Na/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18;/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23);/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 | C20H23N2O5S |
| Molecular Weight | 403.472 |
| 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: Q96P20|||Q59H68 Gene ID: 114548.0 Gene Symbol: NLRP3 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/25686105 |
|||
Target ID: CHEMBL1741208 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26422006 |
7.5 nM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 07:23:16 GMT 2025
by
admin
on
Wed Apr 02 07:23:16 GMT 2025
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| Record UNII |
66BL55B687
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| Record Status |
Validated (UNII)
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| Record Version |
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91826093
Created by
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256373-96-3
Created by
admin on Wed Apr 02 07:23:16 GMT 2025 , Edited by admin on Wed Apr 02 07:23:16 GMT 2025
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66BL55B687
Created by
admin on Wed Apr 02 07:23:16 GMT 2025 , Edited by admin on Wed Apr 02 07:23:16 GMT 2025
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PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |