Structure

InChI Key WSPOMRSOLSGNFJ-AUWJEWJLSA-N
Smiles CN(C)CC/C=C1/c2ccccc2Sc2ccc(Cl)cc21
InChI
InChI=1S/C18H18ClNS/c1-20(2)11-5-7-14-15-6-3-4-8-17(15)21-18-10-9-13(19)12-16(14)18/h3-4,6-10,12H,5,11H2,1-2H3/b14-7-

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H18ClNS
Molecular Weight 315.87
AlogP 5.19
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Target Conservation

Protein: Dopamine D2 receptor

Description: D(2) dopamine receptor

Organism : Homo sapiens

P14416 ENSG00000149295
Protein: Serotonin 2a (5-HT2a) receptor

Description: 5-hydroxytryptamine receptor 2A

Organism : Homo sapiens

P28223 ENSG00000102468
Protein: Serotonin 2c (5-HT2c) receptor

Description: 5-hydroxytryptamine receptor 2C

Organism : Homo sapiens

P28335 ENSG00000147246
Protein: Dopamine D3 receptor

Description: D(3) dopamine receptor

Organism : Homo sapiens

P35462 ENSG00000151577

Related Entries

Cross References

Resources Reference
ChEBI 50931
ChEMBL CHEMBL908
DrugBank DB01239
DrugCentral 623
FDA SRS 9S7OD60EWP
KEGG C07953
PubChem 667467
SureChEMBL SCHEMBL94235
ZINC ZINC000000001137