Ligand id: 7113

Name: amlexanox

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 102.51
Molecular weight 298.1
XLogP 3.35
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bell J. (2005)
Amlexanox for the treatment of recurrent aphthous ulcers.
Clin Drug Investig, 25 (9): 555-66. [PMID:17532700]
2. Elad S, Epstein JB, von Bültzingslöwen I, Drucker S, Tzach R, Yarom N. (2011)
Topical immunomodulators for management of oral mucosal conditions, a systematic review; Part II: miscellaneous agents.
Expert Opin Emerg Drugs, 16 (1): 183-202. [PMID:21244328]
3. Makino H, Saijo T, Ashida Y, Kuriki H, Maki Y. (1987)
Mechanism of action of an antiallergic agent, amlexanox (AA-673), in inhibiting histamine release from mast cells. Acceleration of cAMP generation and inhibition of phosphodiesterase.
Int. Arch. Allergy Appl. Immunol., 82 (1): 66-71. [PMID:2433225]
4. Mowers J, Uhm M, Reilly SM, Simon J, Chiang S-H, Chang L, Saltiel AR. (2013)
Inflammation produces catecholamine resistance in obesity via activation of PDE3B by the protein kinases IKKε and TBK1.
eLife,: e01119
5. Reilly SM, Chiang SH, Decker SJ, Chang L, Uhm M, Larsen MJ, Rubin JR, Mowers J, White NM, Hochberg I et al.. (2013)
An inhibitor of the protein kinases TBK1 and IKK-ɛ improves obesity-related metabolic dysfunctions in mice.
Nat. Med., 19 (3): 313-21. [PMID:23396211]
6. Spina D. (2008)
PDE4 inhibitors: current status.
Br. J. Pharmacol., 155 (3): 308-15. [PMID:18660825]