(-)-tertatolol   Click here for help

GtoPdb Ligand ID: 64

Compound class: Synthetic organic
Comment: One of the enantiomers comprising the INN-assigned compound tertatolol.
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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 6
Topological polar surface area 66.79
Molecular weight 295.16
XLogP 3.06
No. Lipinski's rules broken 0
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Canonical SMILES OC(COc1cccc2c1SCCC2)CNC(C)(C)C
Isomeric SMILES O[C@@H](COc1cccc2c1SCCC2)CNC(C)(C)C
InChI InChI=1S/C16H25NO2S/c1-16(2,3)17-10-13(18)11-19-14-8-4-6-12-7-5-9-20-15(12)14/h4,6,8,13,17-18H,5,7,9-11H2,1-3H3/t13-/m1/s1
1. Lejeune F, Newman-Tancredi A, Audinot V, Millan MJ. (1997)
Interactions of (+)- and (-)-8- and 7-hydroxy-2-(di-n-propylamino)tetralin at human (h)D3, hD2 and h serotonin1A receptors and their modulation of the activity of serotoninergic and dopaminergic neurones in rats.
J Pharmacol Exp Ther, 280 (3): 1241-9. [PMID:9067310]
2. Newman-Tancredi A, Gavaudan S, Conte C, Chaput C, Touzard M, Verrièle L, Audinot V, Millan MJ. (1998)
Agonist and antagonist actions of antipsychotic agents at 5-HT1A receptors: a [35S]GTPgammaS binding study.
Eur J Pharmacol, 355 (2-3): 245-56. [PMID:9760039]