naltrexone

Ligand id: 1639

Name: naltrexone

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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 341.16
XLogP 0.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Kelly E, Mundell SJ, Sava A, Roth AL, Felici A, Maltby K, Nathan PJ, Bullmore ET, Henderson G. (2015)
The opioid receptor pharmacology of GSK1521498 compared to other ligands with differential effects on compulsive reward-related behaviours.
Psychopharmacology (Berl.)232 (1): 305-14. [PMID:24973897]
2. 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]
3. 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]
4. 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]
5. 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]
6. 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]