Structure

InChI Key DGFYECXYGUIODH-UHFFFAOYSA-N
Smiles Cl.N=C(N)NC(=O)Cc1c(Cl)cccc1Cl
InChI
InChI=1S/C9H9Cl2N3O.ClH/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13;/h1-3H,4H2,(H4,12,13,14,15);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H10Cl3N3O
Molecular Weight 282.56
AlogP 1.55
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 78.97
Molecular species BASE
Aromatic Rings 1.0
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 5559
ChEMBL CHEMBL1200494
FDA SRS PML56A160O
KEGG C07037
PubChem 71401
SureChEMBL SCHEMBL41681
ZINC ZINC03872738