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CHEBI:755661 - upadacitinib

Default Structure
ChEBI IDCHEBI:755661
ChEBI Nameupadacitinib
Stars
Last Modified29 June 2026
SubmitterChEMBL
DownloadsMolfile
FormulaC17H19F3N6O
Net Charge0
Average Mass380.374
Monoisotopic Mass380.15724
SMILESCC[C@@H]1CN(C(=O)NCC(F)(F)F)C[C@@H]1c1cnc2cnc3nccc3n12
InChIInChI=1S/C17H19F3N6O/c1-2-10-7-25(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/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1
InChIKeyWYQFJHHDOKWSHR-MNOVXSKESA-N
Roles Classification
Applications:
dermatologic drug  A drug used to treat or prevent skin disorders or for the routine care of skin.
antirheumatic drug  A drug used to treat rheumatoid arthritis.
anti-inflammatory agent  Any compound that has anti-inflammatory effects.
ChEBI Ontology
Outgoing Relation(s)
upadacitinib (CHEBI:755661) has role anti-inflammatory agent (CHEBI:67079)
upadacitinib (CHEBI:755661) has role antirheumatic drug (CHEBI:35842)
upadacitinib (CHEBI:755661) has role dermatologic drug (CHEBI:50177)
upadacitinib (CHEBI:755661) is a pyrrolopyrazine (CHEBI:48337)
Synonyms  Source
ABT-494ChEMBL
UpadacitinibChEMBL
Upadacitinib anhydrousChEMBL
Brand Name  Source
Upadacitinib component of abbv-599ChEMBL
Citations