idazoxan   Click here for help

GtoPdb Ligand ID: 12575

Synonyms: TR-01-XRR
Compound class: Synthetic organic
Comment: Idazoxan has α2-adrenoceptor antagonist activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 42.85
Molecular weight 204.23
XLogP 0.35
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1=CC2=C(C=C1)OC(CO2)C3=NCCN3
Isomeric SMILES C1CN=C(N1)C2COC3=CC=CC=C3O2
InChI InChI=1S/C11H12N2O2/c1-2-4-9-8(3-1)14-7-10(15-9)11-12-5-6-13-11/h1-4,10H,5-7H2,(H,12,13)
InChI Key HPMRFMKYPGXPEP-UHFFFAOYSA-N
References
1. Proudman RGW, Akinaga J, Baker JG. (2022)
The affinity and selectivity of α-adrenoceptor antagonists, antidepressants and antipsychotics for the human α2A, α2B, and α2C-adrenoceptors and comparison with human α1 and β-adrenoceptors.
Pharmacol Res Perspect, 10 (2): e00936. [PMID:35224877]