IDAZOXAN

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Synonyms
Status
Molecule Category Free-form
UNII Y310PA316B
EPA CompTox DTXSID6045161

Structure

InChI Key HPMRFMKYPGXPEP-UHFFFAOYSA-N
Smiles c1ccc2c(c1)OCC(C1=NCCN1)O2
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H12N2O2
Molecular Weight 204.23
AlogP 0.83
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 42.85
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha-2 antagonist ANTAGONIST PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - 28 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 8.318-53.7 2.291-794.33 1.5-794.33 -
Other cytosolic protein
- - - 7.943-300 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- - 52.48 - -
Cavia porcellus
- - 3.981-38.9 - -
Homo sapiens
- - - 4.467-300 -
Oryctolagus cuniculus
- - 141.25 7.943 -
Rattus norvegicus
- 12 9.772-32.36 8-67.61 11

Target Conservation

Protein: Adrenergic receptor alpha-2
Description: Alpha-2A adrenergic receptor
Organism : Homo sapiens
P08913 ENSG00000150594
Protein: Adrenergic receptor alpha-2
Description: Alpha-2B adrenergic receptor
Organism : Homo sapiens
P18089 ENSG00000274286
Protein: Adrenergic receptor alpha-2
Description: Alpha-2C adrenergic receptor
Organism : Homo sapiens
P18825 ENSG00000184160

Cross References

Resources Reference
ChEBI 5862
ChEMBL CHEMBL10316
DrugBank DB12551
FDA SRS Y310PA316B
KEGG C10968
PubChem 54459
SureChEMBL SCHEMBL114731
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