RX821002   

GtoPdb Ligand ID: 526

Synonyms: 2-methoxyidazoxan | RX-821002
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 52.08
Molecular weight 234.1
XLogP 0.54
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES COC1(COc2c(O1)cccc2)C1=NCCN1
Isomeric SMILES COC1(COc2c(O1)cccc2)C1=NCCN1
InChI InChI=1S/C12H14N2O3/c1-15-12(11-13-6-7-14-11)8-16-9-4-2-3-5-10(9)17-12/h2-5H,6-8H2,1H3,(H,13,14)
InChI Key HQGWKNGAKBPTBX-UHFFFAOYSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
α2A-adrenoceptor Hs Antagonist Antagonist 9.2 pKi - 1
pKi 9.2 [1]
α2C-adrenoceptor Hs Antagonist Antagonist 8.7 pKi - 1
pKi 8.7 [1]
α2B-adrenoceptor Hs Antagonist Antagonist 8.4 pKi - 1
pKi 8.4 [1]