compound 9 [PMID: 26006010]

Ligand id: 9761

Name: compound 9 [PMID: 26006010]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 135.42
Molecular weight 610.28
XLogP 4.03
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Bradshaw JM, McFarland JM, Paavilainen VO, Bisconte A, Tam D, Phan VT, Romanov S, Finkle D, Shu J, Patel V et al.. (2015)
Prolonged and tunable residence time using reversible covalent kinase inhibitors.
Nat. Chem. Biol., 11 (7): 525-31. [PMID:26006010]
2. Di Paolo JA, Huang T, Balazs M, Barbosa J, Barck KH, Bravo BJ, Carano RA, Darrow J, Davies DR, DeForge LE et al.. (2011)
Specific Btk inhibition suppresses B cell- and myeloid cell-mediated arthritis.
Nat. Chem. Biol., 7 (1): 41-50. [PMID:21113169]
3. Herter JM, Margraf A, Volmering S, Correia BE, Bradshaw JM, Bisconte A, Hill RJ, Langrish CL, Lowell CA, Zarbock A. (2018)
PRN473, an inhibitor of Bruton's tyrosine kinase, inhibits neutrophil recruitment via inhibition of macrophage antigen-1 signalling.
Br. J. Pharmacol., 175 (3): 429-439. [PMID:29130484]
4. Xu D, Kim Y, Postelnek J, Vu MD, Hu DQ, Liao C, Bradshaw M, Hsu J, Zhang J, Pashine A et al.. (2012)
RN486, a selective Bruton's tyrosine kinase inhibitor, abrogates immune hypersensitivity responses and arthritis in rodents.
J. Pharmacol. Exp. Ther., 341 (1): 90-103. [PMID:22228807]