Structure

InChI Key HPMRFMKYPGXPEP-UHFFFAOYSA-N
Smile 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

Action Mechanism of Action Reference
ANTAGONIST Adrenergic receptor alpha-2 antagonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder, Major 3 D003865 ClinicalTrials
Alzheimer Disease 0 D000544 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 79944-58-4
ChEBI 5862
ChEMBL CHEMBL10316
DrugBank DB12551
EPA CompTox DTXSID6045161
FDA SRS Y310PA316B
KEGG C10968
PubChem 54459
SureChEMBL SCHEMBL114731