Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H16FN3O |
| Molecular Weight | 309.3375 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)(C)C1=NC2=C(N1)C3=C(C=C(F)C=C3)C4=C2C=CNC4=O
InChI
InChIKey=VNDWQCSOSCCWIP-UHFFFAOYSA-N
InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
| Molecular Formula | C18H16FN3O |
| Molecular Weight | 309.3375 |
| Charge | 0 |
| 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: P52332 Gene ID: NA Gene Symbol: Jak1 Target Organism: Mus musculus (Mouse) Sources: https://www.ncbi.nlm.nih.gov/pubmed/11934592 |
15.0 nM [IC50] | ||
Target ID: O60674 Gene ID: 3717.0 Gene Symbol: JAK2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/11934592 |
1.0 nM [IC50] | ||
Target ID: P52333 Gene ID: 3718.0 Gene Symbol: JAK3 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/11934592 |
5.0 nM [IC50] | ||
Target ID: P29597 Gene ID: 7297.0 Gene Symbol: TYK2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/11934592 |
1.0 nM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 16:45:49 GMT 2025
by
admin
on
Tue Apr 01 16:45:49 GMT 2025
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| Record UNII |
LDX3F0CCST
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| Record Status |
Validated (UNII)
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| Record Version |
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DB04716
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457081-03-7
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LDX3F0CCST
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admin on Tue Apr 01 16:45:49 GMT 2025 , Edited by admin on Tue Apr 01 16:45:49 GMT 2025
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