nalbuphine

Ligand id: 1663

Name: nalbuphine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 73.16
Molecular weight 357.19
XLogP 1.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. 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]
2. Yasuda K, Raynor K, Kong H, Breder CD, Takeda J, Reisine T, Bell GI. (1993)
Cloning and functional comparison of κ and δ opioid receptors from mouse brain.
Proc. Natl. Acad. Sci. U.S.A.90: 6736-6740. [PMID:8393575]
3. 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]