naloxone

Ligand id: 1638

Name: naloxone

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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 2
Topological polar surface area 70
Molecular weight 327.15
XLogP 0.61
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Chen Y, Mestek A, Liu J, Yu L. (1993)
Molecular cloning of a rat kappa opioid receptor reveals sequence similarities to the mu and delta opioid receptors.
Biochem J295: 625-628. [PMID:8240267]
2. Li S, Zhu J, Chen C, Chen YW, DeRiel JK, Ashby B, Liu-Chen LY. (1993)
Molecular cloning and expression of a rat kappa opioid receptor.
Biochem J295: 629-633. [PMID:8240268]
3. Meng F, Xie GX, Thompson RC, Mansour A, Goldstein A, Watson SJ, Akil H. (1993)
Cloning and pharmacological characterization of a rat kappa opioid receptor.
Proc Natl Acad Sci U S A90: 9954-9958. [PMID:8234341]
4. Payza K. (2003)
Binding and activity of opioid ligands at the cloned human delta, mu and kappa receptors.  in  The Delta Receptor
Edited by Chang KJ CRC Press. 261-275  [ISBN:0824740319]
5. Raynor K, Kong H, Chen Y, Yasuda K, Yu L, Bell GI, Reisine T. (1994)
Pharmacological characterization of the cloned kappa-, delta-, and mu-opioid receptors.
Mol Pharmacol45: 330-334. [PMID:8114680]
6. Simonin F, Gaveriaux-Ruff C, Befort K, Matthes H, Lannes B, Micheletti G, Mattei MG, Charron G, Bloch B, Kieffer B. (1995)
kappa-Opioid receptor in humans: cDNA and genomic cloning, chromosomal assignment, functional expression, pharmacology, and expression pattern in the central nervous system.
Proc Natl Acad Sci U S A92: 7006-7010. [PMID:7624359]
7. 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]
8. 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]
9. Zhu J, Chen C, Xue JC, Kunapuli S, DeRiel JK, Liu-Chen LY. (1995)
Cloning of a human kappa opioid receptor from the brain.
Life Sci56: PL201-PL207. [PMID:7869844]
10. 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]