Structure

InChI Key BGRJTUBHPOOWDU-UHFFFAOYSA-N
Smile CCN1CCCC1CNC(=O)c1cc(S(N)(=O)=O)ccc1OC
InChI
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H23N3O4S
Molecular Weight 341.43
AlogP 0.56
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 101.73
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Dopamine D2 receptor antagonist PubMed PubMed
Primary Target
D2 receptor

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

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 15676-16-1
ChEBI 32168
ChEMBL CHEMBL26
DrugBank DB00391
DrugCentral 2537
EPA CompTox DTXSID1042574
FDA SRS 7MNE9M8287
Human Metabolome Database HMDB0014535
Guide to Pharmacology 5501
PharmGKB PA164745485
PubChem 5355
SureChEMBL SCHEMBL8421