852A

Ligand id: 9025

Name: 852A

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 111.28
Molecular weight 361.16
XLogP 2.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Dudek AZ, Yunis C, Harrison LI, Kumar S, Hawkinson R, Cooley S, Vasilakos JP, Gorski KS, Miller JS. (2007)
First in human phase I trial of 852A, a novel systemic toll-like receptor 7 agonist, to activate innate immune responses in patients with advanced cancer.
Clin. Cancer Res.13 (23): 7119-25. [PMID:18056192]
2. Dummer R, Hauschild A, Becker JC, Grob JJ, Schadendorf D, Tebbs V, Skalsky J, Kaehler KC, Moosbauer S, Clark R et al.. (2008)
An exploratory study of systemic administration of the toll-like receptor-7 agonist 852A in patients with refractory metastatic melanoma.
Clin. Cancer Res.14 (3): 856-64. [PMID:18245549]
3. Geller MA, Cooley S, Argenta PA, Downs LS, Carson LF, Judson PL, Ghebre R, Weigel B, Panoskaltsis-Mortari A, Curtsinger J et al.. (2010)
Toll-like receptor-7 agonist administered subcutaneously in a prolonged dosing schedule in heavily pretreated recurrent breast, ovarian, and cervix cancers.
Cancer Immunol. Immunother.59 (12): 1877-84. [PMID:20820775]
4. Nakamura T, Wada H, Kurebayashi H, McInally T, Bonnert R, Isobe Y. (2013)
Synthesis and evaluation of 8-oxoadenine derivatives as potent Toll-like receptor 7 agonists with high water solubility.
Bioorg. Med. Chem. Lett.23 (3): 669-72. [PMID:23265901]
5. Weigel BJ, Cooley S, DeFor T, Weisdorf DJ, Panoskaltsis-Mortari A, Chen W, Blazar BR, Miller JS. (2012)
Prolonged subcutaneous administration of 852A, a novel systemic toll-like receptor 7 agonist, to activate innate immune responses in patients with advanced hematologic malignancies.
Am. J. Hematol.87 (10): 953-6. [PMID:22718533]