Structure

InChI Key AWEZYKMQFAUBTD-UHFFFAOYSA-N
Smiles CNS(=O)(=O)CCc1ccc2[nH]cc(C3CCN(C)CC3)c2c1.Cl
InChI
InChI=1S/C17H25N3O2S.ClH/c1-18-23(21,22)10-7-13-3-4-17-15(11-13)16(12-19-17)14-5-8-20(2)9-6-14;/h3-4,11-12,14,18-19H,5-10H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H26ClN3O2S
Molecular Weight 371.93
AlogP 2.07
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 65.2
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 23.0

Pharmacology

Mechanism of Action Action Reference
Serotonin 1b (5-HT1b) receptor agonist AGONIST FDA

Target Conservation

Protein: Serotonin 1d (5-HT1d) receptor

Description: 5-hydroxytryptamine receptor 1D

Organism : Homo sapiens

P28221 ENSG00000179546
Protein: Serotonin 1b (5-HT1b) receptor

Description: 5-hydroxytryptamine receptor 1B

Organism : Homo sapiens

P28222 ENSG00000135312

Cross References

Resources Reference
ChEBI 7479
ChEMBL CHEMBL1200601
FDA SRS 10X8X4P12Z
Guide to Pharmacology 45
KEGG C07792
PubChem 60875
SureChEMBL SCHEMBL41527
ZINC ZINC00004076