Upadacitinib Hemihydrate
A hemihydrate form of upadacitinib with the same therapeutic properties. This oral JAK1-selective inhibitor is used to treat moderate to severe rheumatoid arthritis, psoriatic arthritis, atopic dermatitis, ulcerative colitis, and Crohn's disease in adults who have not responded adequately to other treatments.
分子量
778.8000 g/mol
TPSA
158.00 Ų
Pharmacokinetics (PK)
Pharmacodynamics (PD)
2D構造
Cite this structure
Embed this structure
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
InChI
InChI=1S/2C17H19F3N6O.H2O/c2*1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15;/h2*3-6,10-11,21H,2,7-9H2,1H3,(H,24,27);1H2/t2*10-,11+;/m11./s1
Molecular Formula
C34H40F6N12O3
HBD / HBA
5 / 13
回転可能結合数
6
重原子数
55
No targets recorded
Target interaction data is not yet available for this drug.
No interactions recorded
Drug interaction data is not yet available for this compound.
No side effects recorded
Side effect data is not yet available for this drug.
よくある質問
A hemihydrate form of upadacitinib with the same therapeutic properties. This oral JAK1-selective inhibitor is used to treat moderate to severe rheumatoid arthritis, psoriatic arthritis, atopic dermatitis, ulcerative colitis, and Crohn's disease in adults who have not responded adequately to other treatments.
Yes, Upadacitinib Hemihydrate is an approved drug. It has reached clinical phase 4. It is classified as a Small molecule.
References & Data Sources
- ChEMBL — European Bioinformatics Institute (EBI). CHEMBL5315119. Open-access bioactivity database.
- PubChem — National Center for Biotechnology Information (NCBI). CID 133053456. Chemical information database.
Data aggregated from publicly available pharmacological databases. Last updated 2026-03-28.
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