Structure

InChI Key VPNGEIHDPSLNMU-MERQFXBCSA-N
Smiles Cc1cccc([C@H](C)c2c[nH]cn2)c1C.Cl
InChI
InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H17ClN2
Molecular Weight 236.75
AlogP 3.18
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 28.68
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 15.0

Pharmacology

Mechanism of Action Action Reference
Adrenergic receptor alpha-2 agonist AGONIST DailyMed

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 31472
ChEMBL CHEMBL2106195
FDA SRS 1018WH7F9I
KEGG C07450
PubChem 6918081
SureChEMBL SCHEMBL406837
ZINC ZINC04632106