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
Selectivity at other protein targets
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
sigma non-opioid intracellular receptor 1 Hs Antagonist Antagonist 8.2 pKi - 1
pKi 8.2 (Ki 6.3x10-9 M) [1]
Description: Displacement of [3H](+)pentazocine from human sigma 1 receptor expressed in HEK293 cells, in a membrane radiologand binding assay