Structure

InChI Key CVASBKDYSQKLSO-UHFFFAOYSA-N
Smile Cc1ccc(Sc2ccccc2C2CCNCC2)cc1
InChI
InChI=1S/C18H21NS/c1-14-6-8-16(9-7-14)20-18-5-3-2-4-17(18)15-10-12-19-13-11-15/h2-9,15,19H,10-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21NS
Molecular Weight 283.44
AlogP 4.61
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 12.03
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 20.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Alpha-1a adrenergic receptor antagonist Other Wikipedia Other

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder, Major 2 D003865 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL2104986
DrugBank DB12641
FDA SRS 5H681S8O3S
PubChem 9878913
SureChEMBL SCHEMBL547653
ZINC ZINC000034003654