Synonyms:
Status: Phase 3
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: S7H48S6K7H

Structure

InChI Key YBZSGIWIPOUSHY-UHFFFAOYSA-N
Smile CN(CC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)C(=O)CNC(=O)CN
InChI
InChI=1S/C15H16F3N5O4S/c1-23(13(26)6-20-11(24)5-19)7-12(25)22-14-21-9-3-2-8(4-10(9)28-14)27-15(16,17)18/h2-4H,5-7,19H2,1H3,(H,20,24)(H,21,22,25)

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H16F3N5O4S
Molecular Weight 419.39
AlogP 0.67
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 7.0
Polar Surface Area 126.65
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 28.0

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Obsessive-Compulsive Disorder 3 D009771 ClinicalTrials
Anxiety Disorders 3 D001008 ClinicalTrials
Alzheimer Disease 2 D000544 ClinicalTrials
Melanoma 2 D008545 ClinicalTrials

Cross References

Resources Reference
CAS NUMBER 1926203-09-9
ChEMBL CHEMBL4297586
DrugBank DB15079
FDA SRS S7H48S6K7H
PubChem 121488186
SureChEMBL SCHEMBL18154275