Structure

InChI Key OTQYGBJVDRBCHC-UHFFFAOYSA-N
Smiles Cl.Nc1cc(Cl)c(N=C2NCCN2)c(Cl)c1
InChI
InChI=1S/C9H10Cl2N4.ClH/c10-6-3-5(12)4-7(11)8(6)15-9-13-1-2-14-9;/h3-4H,1-2,12H2,(H2,13,14,15);1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11Cl3N4
Molecular Weight 281.57
AlogP 1.76
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 62.44
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 2789
ChEMBL CHEMBL1200379
FDA SRS D2VW67N38H
Guide to Pharmacology 7117
KEGG C07668
PubChem 51763
SureChEMBL SCHEMBL41138
ZINC ZINC00057175