CGS 21680

Ligand id: 375

Name: CGS 21680

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 11
Topological polar surface area 197.74
Molecular weight 499.22
XLogP 2.12
No. Lipinski's rules broken 3

Molecular properties generated using the CDK

References
1. Beukers MW, den Dulk H, van Tilburg EW, Brouwer J, Ijzerman AP. (2000)
Why are A(2B) receptors low-affinity adenosine receptors? Mutation of Asn273 to Tyr increases affinity of human A(2B) receptor for 2-(1-Hexynyl)adenosine.
Mol Pharmacol58: 1349-1356. [PMID:11093773]
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Synthesis and biological activity of new potential agonists for the human adenosine A2A receptor.
J Med Chem47: 4041-4053. [PMID:15267242]
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Characterization of human A2Aadenosine receptors with the antagonist radioligand [3H]-SCH 58261.
Br. J. Pharmacol.121: 353-360. [PMID:9179373]
4. Gao ZG, Mamedova LK, Chen P, Jacobson KA. (2004)
2-Substituted adenosine derivatives: affinity and efficacy at four subtypes of human adenosine receptors.
Biochem Pharmacol68: 1985-1993. [PMID:15476669]
5. Jacobson KA, Gao ZG. (2006)
Adenosine receptors as therapeutic targets.
Nat Rev Drug Discov5 (3): 247-64. [PMID:16518376]
6. Kim J, Wess J, van Rhee AM, Schoneberg T, Jacobson KA. (1995)
Site-directed mutagenesis identifies residues involved in ligand recognition in the human A2a adenosine receptor.
J. Biol. Chem.270: 13987-13997. [PMID:7775460]
7. Klotz K-N, Hessling J, Hegler J, Owman C, Kull B, Fredholm BB, Lohse MJ. (1998)
Comparative pharmacology of human adenosine receptor subtypes characterization of stably transfected receptors in CHO cells.
Naunyn Schmiedebergs Arch. Pharmacol.357: 1-9. [PMID:9459566]
8. Kull B, Arslan G, Nilsson C, Owman C, Lorenzen A, Schwabe U, Fredholm BB. (1999)
Differences in the order of potency for agonists, but not antagonists, at human and rat adenosine A2A receptors.
Biochem. Pharmacol.57: 65-75. [PMID:9920286]
9. Liang BT Urso R Sambraski E, Jacobson KA. (2010)
Adenosine A3 receptors in muscle protection.  in  Adenosine Receptors from Cell Biology to Pharmacology
Edited by Borea P Springer. 257-280  [ISBN:9789048131440]
10. Linden J, Thai T, Figler H, Jin X, Robeva AS. (1999)
Characterization of human A(2B) adenosine receptors: radioligand binding, western blotting, and coupling to G(q) in human embryonic kidney 293 cells and HMC-1 mast cells.
Mol. Pharmacol.56: 705-713. [PMID:10496952]
11. Obiefuna PC, Batra VK, Nadeem A, Borron P, Wilson CN, Mustafa SJ. (2005)
A novel A1 adenosine receptor antagonist, L-97-1 [3-[2-(4-aminophenyl)-ethyl]-8-benzyl-7-{2-ethyl-(2-hydroxy-ethyl)-amino]-ethyl}-1-propyl-3,7-dihydro-purine-2,6-dione], reduces allergic responses to house dust mite in an allergic rabbit model of asthma.
J Pharmacol Exp Ther315: 329-336. [PMID:16020631]
12. Varani K, Merighi S, Gessi S, Klotz KN, Leung E, Baraldi PG, Cacciari B, Romagnoli R, Spalluto G, Borea PA. (2000)
[(3)H]MRE 3008F20: a novel antagonist radioligand for the pharmacological and biochemical characterization of human A(3) adenosine receptors.
Mol Pharmacol57: 968-975. [PMID:10779381]