Structure

InChI Key SOFQDLYSFOWTJX-UHFFFAOYSA-N
Smile CC(N)Cc1ccccc1.O=S(=O)(O)O
InChI
InChI=1S/C9H13N.H2O4S/c1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2-6,8H,7,10H2,1H3;(H2,1,2,3,4)

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15NO4S
Molecular Weight 233.29
AlogP 1.58
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 26.02
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 10.0

Pharmacology

Action Mechanism of Action Reference
RELEASING AGENT Dopamine transporter releasing agent KEGG PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - 12200 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Cocaine-Related Disorders 2 D019970 ClinicalTrials

Related Entries

Parent
Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Psychiatric disorders
24.68
Injury, poisoning and procedural complications
17.84
General disorders and administration site conditions
12.16
Nervous system disorders
10.75
Cardiac disorders
6.29
Respiratory, thoracic and mediastinal disorders
5.44
Vascular disorders
4.52
Gastrointestinal disorders
3.18
Investigations
3.05
Skin and subcutaneous tissue disorders
2.08

Cross References

Resources Reference
ChEMBL CHEMBL501
FDA SRS 6DPV8NK46S
PubChem 6055
SureChEMBL SCHEMBL41203