Ligand id: 8286

Name: tramadol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 32.7
Molecular weight 263.19
XLogP 2.88
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hennies HH, Friderichs E, Schneider J. (1988)
Receptor binding, analgesic and antitussive potency of tramadol and other selected opioids.
Arzneimittelforschung, 38 (7): 877-80. [PMID:2849950]
2. Leppert W. (2009)
Tramadol as an analgesic for mild to moderate cancer pain.
Pharmacol Rep, 61 (6): 978-92. [PMID:20081232]
3. Raffa RB, Friderichs E, Reimann W, Shank RP, Codd EE, Vaught JL. (1992)
Opioid and nonopioid components independently contribute to the mechanism of action of tramadol, an 'atypical' opioid analgesic.
J. Pharmacol. Exp. Ther., 260 (1): 275-85. [PMID:1309873]
4. Wentland MP, Lou R, Lu Q, Bu Y, Denhardt C, Jin J, Ganorkar R, VanAlstine MA, Guo C, Cohen DJ et al.. (2009)
Syntheses of novel high affinity ligands for opioid receptors.
Bioorg. Med. Chem. Lett., 19 (8): 2289-94. [PMID:19282177]
5. Wentland MP, Lou R, Lu Q, Bu Y, VanAlstine MA, Cohen DJ, Bidlack JM. (2009)
Syntheses and opioid receptor binding properties of carboxamido-substituted opioids.
Bioorg. Med. Chem. Lett., 19 (1): 203-8. [PMID:19027293]