Structure

InChI Key WSPOMRSOLSGNFJ-AUWJEWJLSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 3.24
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine D2 receptor antagonist PubMed PubMed Wikipedia Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 3 D012559 ClinicalTrials
Anxiety 3 D001007 ClinicalTrials
Dementia 3 D003704 ClinicalTrials
Depressive Disorder 3 D003866 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 113-59-7
ChEBI 50931
ChEMBL CHEMBL908
DrugBank DB01239
DrugCentral 623
FDA SRS 9S7OD60EWP
KEGG C07953
PubChem 667467
SureChEMBL SCHEMBL94235
ZINC ZINC000000001137