Ligand id: 1646

Name: enadoline

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 45.92
Molecular weight 396.24
XLogP 3.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hjorth SA, Thirstrup K, Schwartz TW. (1996)
Radioligand-dependent discrepancy in agonist affinities enhanced by mutations in the kappa-opioid receptor.
Mol Pharmacol, 50: 977-984. [PMID:8863844]
2. Hunter JC, Leighton GE, Meecham KG, Boyle SJ, Horwell DC, Rees DC, Hughes J. (1990)
CI-977, a novel and selective agonist for the kappa-opioid receptor.
Br. J. Pharmacol., 101 (1): 183-9. [PMID:2178014]
3. Neumeyer JL, Zhang A, Xiong W, Gu XH, Hilbert JE, Knapp BI, Negus SS, Mello NK, Bidlack JM. (2003)
Design and synthesis of novel dimeric morphinan ligands for kappa and micro opioid receptors.
J Med Chem, 46: 5162-5170. [PMID:14613319]