Ligand id: 2844

Name: adenosine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 2
Topological polar surface area 139.54
Molecular weight 267.1
XLogP -1.81
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Baldwin SA, Yao SY, Hyde RJ, Ng AM, Foppolo S, Barnes K, Ritzel MW, Cass CE, Young JD. (2005)
Functional characterization of novel human and mouse equilibrative nucleoside transporters (hENT3 and mENT3) located in intracellular membranes.
J. Biol. Chem., 280 (16): 15880-7. [PMID:15701636]
2. Fredholm BB. (1995)
Adenosine, adenosine receptors and the actions of caffeine.
Pharmacol. Toxicol., 76: 93-101. [PMID:7746802]
3. Fredholm BB, Chen JF, Masino SA, Vaugeois JM. (2005)
Actions of adenosine at its receptors in the CNS: insights from knockouts and drugs.
Annu Rev Pharmacol Toxicol, 45: 385-412. [PMID:15822182]
4. Tai AW, Bojjireddy N, Balla T. (2011)
A homogeneous and nonisotopic assay for phosphatidylinositol 4-kinases.
Anal. Biochem., 417 (1): 97-102. [PMID:21704602]
5. Yan L, Burbiel JC, Maass A, Müller CE. (2003)
Adenosine receptor agonists: from basic medicinal chemistry to clinical development.
Expert Opin Emerg Drugs, 8 (2): 537-76. [PMID:14662005]
6. Yao SY, Ng AM, Cass CE, Baldwin SA, Young JD. (2011)
Nucleobase transport by human equilibrative nucleoside transporter 1 (hENT1).
J. Biol. Chem., 286 (37): 32552-62. [PMID:21795683]