ropsacitinib   Click here for help

GtoPdb Ligand ID: 11613

Synonyms: compound 22 [PMID: 32787094] | PF-06826647 | PF06826647 | Tyk2-IN-8
Compound class: Synthetic organic
Comment: Ropsacitinib (PF-06826647) is claimed as a tyrosine kinase 2 (TYK2) Inhibitor [1]. However, its activity at clinically relevant concentrations to achieve TYK2 inhibition is suggestive of significant inhibition of at least JAK2, if not also of JAK1 [3]. Ropsacitinib is an ATP-competitive inhibitor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 113.41
Molecular weight 383.16
XLogP 1.08
No. Lipinski's rules broken 0
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Canonical SMILES N#CCC1(CC(C1)C#N)n1ncc(c1)c1nc(cn2c1ccn2)c1cnn(c1)C
Isomeric SMILES N#CCC1(CC(C1)C#N)n1ncc(c1)c1nc(cn2c1ccn2)c1cnn(c1)C
InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3
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Summary of Clinical Use Click here for help
Ropsacitinib has advanced to clinical evaluations for potential to treat autoimmune conditions.
Clinical Trials
Clinical Trial ID Title Type Source Comment References
NCT04092452 A Study to Evaluate the Safety and Efficacy of PF-06650833, PF-06700841, and PF 06826647 in Adults With Hidradenitis Suppurativa Phase 2 Interventional Pfizer
NCT04591262 A Study To Asses Mass Balance And Absolute Bioavailability Of 14C PF-06826647 In Healthy Male Participants Phase 1 Interventional Pfizer
NCT03895372 A Study to Evaluate Safety and Efficacy of PF-06826647 For Moderate To Severe Plaque Psoriasis Phase 2 Interventional Pfizer
NCT03210961 A First in Human Study to Evaluate Safety, Tolerability, and Pharmacology of PF-06826647 in Healthy Subjects and Subjects With Plaque Psoriasis Phase 1 Interventional Pfizer 2-3