buprenorphine

Ligand id: 1670

Name: buprenorphine

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 62.16
Molecular weight 467.3
XLogP 3.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Toll L, Berzetei-Gurske IP, Polgar WE, Brandt SR, Adapa ID, Rodriguez L, Schwartz RW, Haggart D, O'Brien A, White A, Kennedy JM, Craymer K, Farrington L, Auh JS. (1998)
Standard binding and functional assays related to medications development division testing for potential cocaine and opiate narcotic treatment medications.

NOTE: This paper is available through the website of the International Narcotics Research Conference, at http://www.inrcworld.org/links2.htm.
.
NIDA Res Monogr178: 440-466. [PMID:9686407]
2. Zhu J, Luo LY, Li JG, Chen C, Liu-Chen LY. (1997)
Activation of the cloned human kappa opioid receptor by agonists enhances [35S]GTPgammaS binding to membranes: determination of potencies and efficacies of ligands.
J Pharmacol Exp Ther282: 676-684. [PMID:9262330]