AT-076

Ligand id: 8870

Name: AT-076

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 84.83
Molecular weight 437.27
XLogP 3.48
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. Zaveri N. (2003)
Peptide and nonpeptide ligands for the nociceptin/orphanin FQ receptor ORL1: research tools and potential therapeutic agents.
Life Sci73: 663-678. [PMID:12801588]
3. Zaveri NT, Journigan VB, Polgar WE. (2015)
Discovery of the first small-molecule opioid pan antagonist with nanomolar affinity at mu, delta, kappa, and nociceptin opioid receptors.
ACS Chem Neurosci6 (4): 646-57. [PMID:25635572]