baricitinib

Ligand id: 7792

Name: baricitinib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 128.94
Molecular weight 371.12
XLogP -0.56
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Crispin MC, JKo JM, BCraiglow BG, Li S, Shankar G, JUrban JR, Chen JC, JCerise JE, Jabbari A, Winge MCG. (2016)
Safety and efficacy of the JAK inhibitor tofacitinib citrate in patients with alopecia areata.
JCI Insight15 (1): e89776 Epub.
2. Fridman JS, Scherle PA, Collins R, Burn TC, Li Y, Li J, Covington MB, Thomas B, Collier P, Favata MF et al.. (2010)
Selective inhibition of JAK1 and JAK2 is efficacious in rodent models of arthritis: preclinical characterization of INCB028050.
J. Immunol.184 (9): 5298-307. [PMID:20363976]
3. Genovese MC, Kremer J, Zamani O, Ludivico C, Krogulec M, Xie L, Beattie SD, Koch AE, Cardillo TE, Rooney TP et al.. (2016)
Baricitinib in Patients with Refractory Rheumatoid Arthritis.
N. Engl. J. Med.374 (13): 1243-52. [PMID:27028914]
4. Jabbari A, Dai Z, Xing L, Cerise JE, Ramot Y, Berkun Y, Sanchez GA, Goldbach-Mansky R, Christiano AM, Clynes R et al.. (2015)
Reversal of Alopecia Areata Following Treatment With the JAK1/2 Inhibitor Baricitinib.
EBioMedicine2 (4): 351-5. [PMID:26137574]
5. Mackay-Wiggan J, Jabbari A, Nguyen N, Cerise JE, Clark C, Ulerio G, Furniss M, Vaughan R, Christiano AM, R Clynes R. (2016)
Oral ruxolitinib induces hair regrowth in patients with moderate-to-severe alopecia areata.
JCI Insight1 (15): e89790 Epub.
6. Xing L, Dai Z, Jabbari A, Cerise JE, Higgins CA, Gong W, de Jong A, Harel S, DeStefano GM, Rothman L et al.. (2014)
Alopecia areata is driven by cytotoxic T lymphocytes and is reversed by JAK inhibition.
Nat. Med.,  [Epub ahead of print]. [PMID:25129481]