Synonyms | |
Status | |
Molecule Category | Free-form |
ATC | L04AA45 |
UNII | 3XVL385Q0M |
EPA CompTox | DTXSID80152935 |
InChI Key | RIJLVEAXPNLDTC-UHFFFAOYSA-N | |
---|---|---|
Smiles | ||
InChI |
|
Property Name | Value | |
---|---|---|
Molecular Formula | C21H23N5O3S | |
Molecular Weight | 425.51 | |
AlogP | 1.98 | |
Hydrogen Bond Acceptor | 7.0 | |
Hydrogen Bond Donor | 1.0 | |
Number of Rotational Bond | 5.0 | |
Polar Surface Area | 96.67 | |
Molecular species | NEUTRAL | |
Aromatic Rings | 3.0 | |
Heavy Atoms | 30.0 |
Mechanism of Action | Action | Reference | |
---|---|---|---|
Tyrosine-protein kinase JAK1 inhibitor | INHIBITOR | PubMed |
Protein: Tyrosine-protein kinase JAK1 Description: Tyrosine-protein kinase JAK1 Organism : Homo sapiens P23458 ENSG00000162434 |
||||
Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | ||
---|---|---|---|---|---|---|---|
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase JakA family
|
- | 25-17453 | - | - | - | ||
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase JakB family
|
- | 25-17453 | - | - | - | ||
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase PDGFR family
|
- | 338 | - | - | - | ||
Enzyme
Kinase
Protein Kinase
TK protein kinase group
Tyrosine protein kinase VEGFR family
|
- | 274 | - | - | - | ||
Enzyme
Kinase
Protein Kinase
|
- | 25-17453 | - | - | - | ||
Ion channel
Voltage-gated ion channel
Potassium channels
Voltage-gated potassium channel
|
- | 85000-85000 | - | - | - |
Resources | Reference | |
---|---|---|
ChEMBL | CHEMBL3301607 | |
DrugBank | DB14845 | |
FDA SRS | 3XVL385Q0M | |
Guide to Pharmacology | 7913 | |
PDB | 2HB | |
PubChem | 49831257 | |
SureChEMBL | SCHEMBL253559 | |
ZINC | ZINC000096174616 |