Structure

InChI Key YGKUEOZJFIXDGI-UHFFFAOYSA-N
Smile CCCN1CCC(c2cccc(S(C)(=O)=O)c2)CC1
InChI
InChI=1S/C15H23NO2S/c1-3-9-16-10-7-13(8-11-16)14-5-4-6-15(12-14)19(2,17)18/h4-6,12-13H,3,7-11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23NO2S
Molecular Weight 281.42
AlogP 2.68
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 37.38
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Dopamine D2 receptor modulator PubMed PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Huntington Disease 3 D006816 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials
Amyotrophic Lateral Sclerosis 2 D000690 ClinicalTrials

Cross References

Resources Reference
ChEMBL CHEMBL596802
DrugBank DB11947
EPA CompTox DTXSID90188225
FDA SRS HD4TW8S2VK
PharmGKB PA166115441
SureChEMBL SCHEMBL166748
ZINC ZINC000022063703