Structure

InChI Key VRSLTNZJOUZKLX-UHFFFAOYSA-N
Smiles Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O.Cl.O.O
InChI
InChI=1S/C18H19N3O.ClH.2H2O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2;;;/h3-6,9-10,13H,7-8,11H2,1-2H3;1H;2*1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24ClN3O3
Molecular Weight 365.86
AlogP 3.13
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 2.0
Polar Surface Area 39.82
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 3a (5-HT3a) receptor antagonist ANTAGONIST DailyMed

Target Conservation

Protein: Serotonin 3a (5-HT3a) receptor

Description: 5-hydroxytryptamine receptor 3A

Organism : Homo sapiens

P46098 ENSG00000166736

Cross References

Resources Reference
ChEBI 7774
ChEMBL CHEMBL3186492
FDA SRS NMH84OZK2B
PubChem 59774
SureChEMBL SCHEMBL25018