[3H](+)DOB   Click here for help

GtoPdb Ligand ID: 155

Synonyms: 4-bromo-2,5-dimethoxyphenylisopropylamine | brolamfetamine
 Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 44.48
Molecular weight 273.04
XLogP 2.39
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc(Br)c(cc1CC(N)C)OC
Isomeric SMILES COc1cc(Br)c(cc1CC(N)C)OC
InChI InChI=1S/C11H16BrNO2/c1-7(13)4-8-5-11(15-3)9(12)6-10(8)14-2/h5-7H,4,13H2,1-3H3
1. Lopez-Gimenez JF, Villazon M, Brea J, Loza MI, Palacios JM, Mengod G, Vilaro MT. (2001)
Multiple conformations of native and recombinant human 5-hydroxytryptamine(2a) receptors are labeled by agonists and discriminated by antagonists.
Mol Pharmacol, 60: 690-699. [PMID:11562430]
2. Sleight AJ, Stam NJ, Mutel V, Vanderheyden PM. (1996)
Radiolabelling of the human 5-HT2A receptor with an agonist, a partial agonist and an antagonist: effects on apparent agonist affinities.
Biochem Pharmacol, 51 (1): 71-6. [PMID:8534270]