Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 3CO94WO6DJ

Structure

InChI Key VAIOZOCLKVMIMN-PRJWTAEASA-N
Smile CN(C)CCO/N=C(/C=C/c1ccc(O)cc1)c1ccccc1F
InChI
InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3/b12-9+,21-19-

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H21FN2O2
Molecular Weight 328.39
AlogP 3.53
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 45.06
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Serotonin 2a (5-HT2a) receptor antagonist PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Sleep Initiation and Maintenance Disorders 3 D007319 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 130579-75-8
ChEMBL CHEMBL257704
DrugBank DB12177
FDA SRS 3CO94WO6DJ
PubChem 135456190
SureChEMBL SCHEMBL341108
ZINC ZINC000001886642