upadacitinib

Ligand id: 9246

Name: upadacitinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 78.32
Molecular weight 380.16
XLogP 2.52
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
10209 upadacitinib
Synonyms
ABT-494
Database Links
PubChem CID 58557659
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Search UniChem for chemicals with the same backbone WYQFJHHDOKWSHR
Comments
Upadacitinib (ABT-494) is a novel second generation Janus kinase inhibitor with high JAK1 selectivity [1]. It is being investigated for clinical activity in autoimmune diseases including rheumatoid arthritis and Crohn's disease.