Ligand id: 3462

Name: CL316243

Structure and Physico-chemical Properties

2D Structure
Click here for structure editor
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 125.32
Molecular weight 421.09
XLogP 2.09
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Hutchinson DS, Chernogubova E, Sato M, Summers RJ, Bengtsson T. (2006)
Agonist effects of zinterol at the mouse and human beta(3)-adrenoceptor.
Naunyn Schmiedebergs Arch. Pharmacol., 373 (2): 158-68. [PMID:16601951]
2. Sato M, Horinouchi T, Hutchinson DS, Evans BA, Summers RJ. (2007)
Ligand-directed signaling at the beta3-adrenoceptor produced by 3-(2-Ethylphenoxy)-1-[(1,S)-1,2,3,4-tetrahydronapth-1-ylamino]-2S-2-propanol oxalate (SR59230A) relative to receptor agonists.
Mol. Pharmacol., 72 (5): 1359-68. [PMID:17717109]
3. Yanagisawa T, Sato T, Yamada H, Sukegawa J, Nunoki K. (2000)
Selectivity and potency of agonists for the three subtypes of cloned human beta-adrenoceptors expressed in Chinese hamster ovary cells.
Tohoku J. Exp. Med., 192 (3): 181-93. [PMID:11249148]