Ligand id: 7475

Name: fospropofol

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 85.8
Molecular weight 288.11
XLogP 2.52
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bennett DJ, Anderson A, Buchanan K, Byford A, Cooke A, Gemmell DK, Hamilton NM, Maidment MS, McPhail P, Stevenson DF et al.. (2003)
Novel water soluble 2,6-dimethoxyphenyl ester derivatives with intravenous anaesthetic activity.
Bioorg. Med. Chem. Lett., 13 (12): 1971-5. [PMID:12781176]
2. Cooke A, Anderson A, Buchanan K, Byford A, Gemmell D, Hamilton N, McPhail P, Miller S, Sundaram H, Vijn P. (2001)
Water-soluble propofol analogues with intravenous anaesthetic activity.
Bioorg. Med. Chem. Lett., 11 (7): 927-30. [PMID:11294393]
3. Haeseler G, Karst M, Foadi N, Gudehus S, Roeder A, Hecker H, Dengler R, Leuwer M. (2008)
High-affinity blockade of voltage-operated skeletal muscle and neuronal sodium channels by halogenated propofol analogues.
Br. J. Pharmacol., 155 (2): 265-75. [PMID:18574460]
4. Haeseler G, Leuwer M. (2003)
High-affinity block of voltage-operated rat IIA neuronal sodium channels by 2,6 di-tert-butylphenol, a propofol analogue.
Eur J Anaesthesiol, 20 (3): 220-4. [PMID:12650493]
5. Krasowski MD, Hong X, Hopfinger AJ, Harrison NL. (2002)
4D-QSAR analysis of a set of propofol analogues: mapping binding sites for an anesthetic phenol on the GABA(A) receptor.
J. Med. Chem., 45 (15): 3210-21. [PMID:12109905]
6. Trapani G, Latrofa A, Franco M, Altomare C, Sanna E, Usala M, Biggio G, Liso G. (1998)
Propofol analogues. Synthesis, relationships between structure and affinity at GABAA receptor in rat brain, and differential electrophysiological profile at recombinant human GABAA receptors.
J. Med. Chem., 41 (11): 1846-54. [PMID:9599235]
7. Yip GM, Chen ZW, Edge CJ, Smith EH, Dickinson R, Hohenester E, Townsend RR, Fuchs K, Sieghart W, Evers AS et al.. (2013)
A propofol binding site on mammalian GABAA receptors identified by photolabeling.
Nat. Chem. Biol., 9 (11): 715-20. [PMID:24056400]