Structure

InChI Key ZWUKMNZJRDGCTQ-UHFFFAOYSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Radiculopathy 3 D011843 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials
Brain Injuries 1 D001930 ClinicalTrials

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Nervous system disorders
17.98
General disorders and administration site conditions
15.9
Psychiatric disorders
12.09
Injury, poisoning and procedural complications
7.43
Musculoskeletal and connective tissue disorders
6.81
Vascular disorders
5.92
Cardiac disorders
5.89
Gastrointestinal disorders
5.74
Investigations
3.21
Respiratory, thoracic and mediastinal disorders
3.2
Skin and subcutaneous tissue disorders
3.18
Infections and infestations
2.18

Cross References

Resources Reference
ChEBI 9609
ChEMBL CHEMBL1200329
EPA CompTox DTXSID9046990
FDA SRS B53E3NMY5C
Guide to Pharmacology 7308
KEGG C07452
PubChem 114869
SureChEMBL SCHEMBL41199
ZINC ZINC19702309