Synonyms:
Status: Approved (2016)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N05AX17
UNII: JZ963P0DIK

Structure

InChI Key RKEWSXXUOLRFBX-UHFFFAOYSA-N
Smile CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
InChI
InChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H34FN3O2
Molecular Weight 427.56
AlogP 4.67
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 44.81
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Primary Target
5-HT2A receptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Schizophrenia 3 D012559 ClinicalTrials
Neurodegenerative Diseases 3 D019636 ClinicalTrials
Depressive Disorder, Major 3 D003865 ClinicalTrials
Parkinson Disease 2 D010300 ClinicalTrials
Tourette Syndrome 0 D005879 ClinicalTrials

Related Entries

Salt

Cross References

Resources Reference
CAS NUMBER 706779-91-1
ChEBI 133017
ChEMBL CHEMBL2111101
DrugBank DB05316
DrugCentral 5142
FDA SRS JZ963P0DIK
Guide to Pharmacology 8423
PubChem 10071196
SureChEMBL SCHEMBL675165
ZINC ZINC000016159083