SR59230A   Click here for help

GtoPdb Ligand ID: 547

Synonyms: SR 59,230A | SR-59230A
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 41.49
Molecular weight 325.2
XLogP 4.16
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CCc1ccccc1OCC(CNC1CCCc2c1cccc2)O
Isomeric SMILES CCc1ccccc1OC[C@H](CN[C@H]1CCCc2c1cccc2)O
InChI InChI=1S/C21H27NO2/c1-2-16-8-4-6-13-21(16)24-15-18(23)14-22-20-12-7-10-17-9-3-5-11-19(17)20/h3-6,8-9,11,13,18,20,22-23H,2,7,10,12,14-15H2,1H3/t18-,20-/m0/s1
InChI Key VFDHMSXXELYMRW-ICSRJNTNSA-N
References
1. Candelore MR, Deng L, Tota L, Guan XM, Amend A, Liu Y, Newbold R, Cascieri MA, Weber AE. (1999)
Potent and selective human beta(3)-adrenergic receptor antagonists.
J Pharmacol Exp Ther, 290 (2): 649-55. [PMID:10411574]
2. De Ponti F, Gibelli G, Croci T, Arcidiaco M, Crema F, Manara L. (1996)
Functional evidence of atypical beta 3-adrenoceptors in the human colon using the beta 3-selective adrenoceptor antagonist, SR 59230A.
Br J Pharmacol, 117 (7): 1374-6. [PMID:8730727]
3. Hoffmann C, Leitz MR, Oberdorf-Maass S, Lohse MJ, Klotz KN. (2004)
Comparative pharmacology of human beta-adrenergic receptor subtypes--characterization of stably transfected receptors in CHO cells.
Naunyn Schmiedebergs Arch Pharmacol, 369 (2): 151-9. [PMID:14730417]