Structure

InChI Key YLOYRMPMRZXEMW-FJXQXJEOSA-N
Smile CCCN[C@H]1CCc2nc(N)sc2C1.Cl
InChI
InChI=1S/C10H17N3S.ClH/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;/h7,12H,2-6H2,1H3,(H2,11,13);1H/t7-;/m0./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H21Cl2N3OS
Molecular Weight 302.27
AlogP 1.58
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 50.94
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 14.0

Pharmacology

Action Mechanism of Action Reference
AGONIST D2-like dopamine receptor agonist DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Bipolar Disorder 2 D001714 ClinicalTrials
Amyotrophic Lateral Sclerosis 1 D000690 ClinicalTrials

Related Entries

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
22.78
Nervous system disorders
20.13
General disorders and administration site conditions
12.42
Injury, poisoning and procedural complications
7.15
Musculoskeletal and connective tissue disorders
6.64
Cardiac disorders
4.47
Vascular disorders
3.6
Gastrointestinal disorders
3.46
Respiratory, thoracic and mediastinal disorders
3.44
Metabolism and nutrition disorders
2.66
Investigations
2.06

Cross References

Resources Reference
ChEBI 51147
ChEMBL CHEMBL3182733
EPA CompTox DTXSID1044227
FDA SRS 3D867NP06J
KEGG D05575
PubChem 166589
SureChEMBL SCHEMBL153875
ZINC ZINC03781664