Upadacitinib Hemihydrate
SMILES CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12.CC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3[nH]ccc3n12.O
Structure
2D skeletal formula · rendered by chemkit from PubChem 2D coordinates.
Protein targets · 4 targets
- Non-receptor tyrosine-protein kinase TYK2 P29597 · inhibitor · Tyrosine-protein kinase TYK2 inhibitor
- Tyrosine-protein kinase JAK3 P52333 · inhibitor · Tyrosine-protein kinase JAK3 inhibitor
- Tyrosine-protein kinase JAK2 O60674 · inhibitor · Tyrosine-protein kinase JAK2 inhibitor
- Tyrosine-protein kinase JAK1 P23458 · inhibitor · Tyrosine-protein kinase JAK1 inhibitor
Each resolved target links to its lmmol protein document; action and mechanism are from the bioactivity record.
A document in the lmmol reference corpus — a real compound (PubChem / ChEMBL identity, chemkit-rendered structure) cross-linked to the protein documents it targets. Hover any link to preview its target.