U50488

Ligand id: 1652

Name: U50488

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 23.55
Molecular weight 368.14
XLogP 4.28
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Chavkin C, Sud S, Jin W, Stewart J, Zjawiony JK, Siebert DJ, Toth BA, Hufeisen SJ, Roth BL. (2004)
Salvinorin A, an active component of the hallucinogenic sage salvia divinorum is a highly efficacious kappa-opioid receptor agonist: structural and functional considerations.
J. Pharmacol. Exp. Ther., 308 (3): 1197-203. [PMID:14718611]
2. 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. J., 295 ( Pt 3): 625-8. [PMID:8240267]
3. 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. J., 295 ( Pt 3): 629-33. [PMID:8240268]
4. 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.A., 90 (21): 9954-8. [PMID:8234341]
5. 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]
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 A, 92: 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 et al.. (1998)
Standard binding and functional assays related to medications development division testing for potential cocaine and opiate narcotic treatment medications.
NIDA Res. Monogr., 178: 440-66. [PMID:9686407]
8. Vonvoigtlander PF, Lahti RA, Ludens JH. (1983)
U-50,488: a selective and structurally novel non-Mu (kappa) opioid agonist.
J. Pharmacol. Exp. Ther., 224 (1): 7-12. [PMID:6129321]
9. Yasuda K, Raynor K, Kong H, Breder CD, Takeda J, Reisine T, Bell GI. (1993)
Cloning and functional comparison of kappa and delta opioid receptors from mouse brain.
Proc. Natl. Acad. Sci. U.S.A., 90 (14): 6736-40. [PMID:8393575]
10. 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 Sci, 56: PL201-PL207. [PMID:7869844]
11. 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. Ther., 282 (2): 676-84. [PMID:9262330]