BD-1063   Click here for help

GtoPdb Ligand ID: 12125

Synonyms: BD1063
Compound class: Synthetic organic
Comment: BD-1063 is a chemical probe for experimental use. It acts as a sigma non-opioid intracellular receptor 1 (σ1) antagonist [1]. It also antagonises dopamine receptors.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 6.48
Molecular weight 272.08
XLogP 2.82
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCN(CC1)CCc1ccc(c(c1)Cl)Cl
Isomeric SMILES CN1CCN(CC1)CCc1cc(c(cc1)Cl)Cl
InChI InChI=1S/C13H18Cl2N2/c1-16-6-8-17(9-7-16)5-4-11-2-3-12(14)13(15)10-11/h2-3,10H,4-9H2,1H3
1. Díaz JL, Cuberes R, Berrocal J, Contijoch M, Christmann U, Fernández A, Port A, Holenz J, Buschmann H, Laggner C et al.. (2012)
Synthesis and biological evaluation of the 1-arylpyrazole class of σ(1) receptor antagonists: identification of 4-{2-[5-methyl-1-(naphthalen-2-yl)-1H-pyrazol-3-yloxy]ethyl}morpholine (S1RA, E-52862).
J Med Chem, 55 (19): 8211-24. [PMID:22784008]