Structure

InChI Key JIVSXRLRGOICGA-UHFFFAOYSA-N
Smiles CN(C)CCCN1c2ccccc2Sc2ccccc21.Cl
InChI
InChI=1S/C17H20N2S.ClH/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19;/h3-6,8-11H,7,12-13H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H21ClN2S
Molecular Weight 320.89
AlogP 4.24
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 6.48
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
D2-like dopamine receptor antagonist ANTAGONIST ISBN ISBN Wikipedia Wikipedia
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 81.19-82.72

Target Conservation

Protein: Serotonin 2a (5-HT2a) receptor

Description: 5-hydroxytryptamine receptor 2A

Organism : Homo sapiens

P28223 ENSG00000102468

Cross References

Resources Reference
ChEBI 8460
ChEMBL CHEMBL1200469
FDA SRS U16EOR79U4
Guide to Pharmacology 7281
KEGG C07379
PubChem 5887
SureChEMBL SCHEMBL123418
ZINC ZINC00010402