Structure

InChI Key YGKUEOZJFIXDGI-UHFFFAOYSA-N
Smiles 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
Number of Rotational Bond 4.0
Polar Surface Area 37.38
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 19.0

Pharmacology

Mechanism of Action Action Reference
Dopamine D2 receptor modulator MODULATOR PubMed PubMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor
- - - 81.7 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - 81.7 -

Target Conservation

Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295

Cross References

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