Structure

InChI Key BGRJTUBHPOOWDU-NSHDSACASA-N
Smile CCN1CCC[C@H]1CNC(=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)/t11-/m0/s1

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Psychomotor Agitation 2 D011595 ClinicalTrials
Dyspepsia 1 D004415 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
ChEBI 64119
ChEMBL CHEMBL267044
DrugBank DB16021
DrugCentral 1577
EPA CompTox DTXSID0042583
FDA SRS JTG7R315LK
Guide to Pharmacology 958
PubChem 688272
SureChEMBL SCHEMBL70112
ZINC ZINC000000057008