VORTIOXETINE

Search structure
Trade Names:
Synonyms:
Status: Approved (2013)
Entry Type: Small molecule
Molecule Category: Parent
ATC: N06AX26
UNII: 3O2K1S3WQV

Structure
InChI Key YQNWZWMKLDQSAC-UHFFFAOYSA-N
Smile Cc1ccc(Sc2ccccc2N2CCNCC2)c(C)c1
InChI
InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H22N2S
Molecular Weight 298.46
AlogP 3.86
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 15.27
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Primary Target
5-HT1A receptor
5-HT1B receptor
5-HT3A
5-HT7 receptor
SERT
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 10-10 93
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 3-3 - - 101

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Depressive Disorder 4 D003866 ClinicalTrials
Depressive Disorder 4 D003866 ClinicalTrials
Anxiety Disorders 3 D001008 ClinicalTrials
Depressive Disorder, Major 3 D003865 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Attention Deficit Disorder with Hyperactivity 2 D001289 ClinicalTrials
Feeding and Eating Disorders 2 D001068 ClinicalTrials
Liver Diseases 1 D008107 ClinicalTrials

Related Entries

Scaffolds

Salt

Cross References

Resources Reference
CAS NUMBER 508233-74-7
ChEBI 76016
ChEMBL CHEMBL2104993
DrugBank DB09068
DrugCentral 4806
FDA SRS 3O2K1S3WQV
Guide to Pharmacology 7351
PharmGKB PA166122595
PubChem 9966051
SureChEMBL SCHEMBL236115
ZINC ZINC000034051848
CONTENTS