Structure

InChI Key RAOHHYUBMJLHNC-UHFFFAOYSA-N
Smiles CN1CCCC(CC2c3ccccc3Sc3ccccc32)C1.Cl.O
InChI
InChI=1S/C20H23NS.ClH.H2O/c1-21-12-6-7-15(14-21)13-18-16-8-2-4-10-19(16)22-20-11-5-3-9-17(18)20;;/h2-5,8-11,15,18H,6-7,12-14H2,1H3;1H;1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H26ClNOS
Molecular Weight 363.95
AlogP 5.02
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Muscarinic acetylcholine receptor M1 antagonist ANTAGONIST ISBN PubMed

Target Conservation

Protein: Muscarinic acetylcholine receptor M1

Description: Muscarinic acetylcholine receptor M1

Organism : Homo sapiens

P11229 ENSG00000168539
Protein: Serotonin 2c (5-HT2c) receptor

Description: 5-hydroxytryptamine receptor 2C

Organism : Homo sapiens

P28335 ENSG00000147246

Cross References

Resources Reference
ChEBI 51025
ChEMBL CHEMBL1200426
FDA SRS 84L8XK6N1G
KEGG D08209
PubChem 71177
SureChEMBL SCHEMBL121381
ZINC ZINC01713960