Structure

InChI Key ZWUKMNZJRDGCTQ-UHFFFAOYSA-N
Smiles Cl.Clc1ccc2nsnc2c1NC1=NCCN1
InChI
InChI=1S/C9H8ClN5S.ClH/c10-5-1-2-6-8(15-16-14-6)7(5)13-9-11-3-4-12-9;/h1-2H,3-4H2,(H2,11,12,13);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H9Cl2N5S
Molecular Weight 290.18
AlogP 1.72
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 62.2
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 16.0

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 9609
ChEMBL CHEMBL1200329
FDA SRS B53E3NMY5C
Guide to Pharmacology 7308
KEGG C07452
PubChem 114869
SureChEMBL SCHEMBL41199
ZINC ZINC19702309