Structure

InChI Key JJZFWROHYSMCMU-UHFFFAOYSA-N
Smile O=S(=O)(c1ccccc1)c1cnc2c(N3CCNCC3)cccc2c1
InChI
InChI=1S/C19H19N3O2S/c23-25(24,16-6-2-1-3-7-16)17-13-15-5-4-8-18(19(15)21-14-17)22-11-9-20-10-12-22/h1-8,13-14,20H,9-12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H19N3O2S
Molecular Weight 353.45
AlogP 2.48
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 62.3
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Serotonin 6 (5-HT6) receptor antagonist PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Alzheimer Disease 3 D000544 ClinicalTrials
Dementia 2 D003704 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1083390
DrugBank DB12680
FDA SRS 2IOB2M82HY
Guide to Pharmacology 9444
PubChem 11256720
SureChEMBL SCHEMBL1683964
ZINC ZINC000043199965