vortioxetine   Click here for help

GtoPdb Ligand ID: 7351

Synonyms: Brintellix® | compound 5m [PMID: 21486038] | Lu AA21004 | Trintellix®
Approved drug PDB Ligand Immunopharmacology Ligand
vortioxetine is an approved drug (FDA and EMA (2013))
Compound class: Synthetic organic
Comment: Vortioxetine is an atypical (multimodal) antidepressant [1].
Click here for help
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: vortioxetine

2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 40.57
Molecular weight 298.15
XLogP 4.61
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1
Isomeric SMILES Cc1ccc(c(c1)C)Sc1ccccc1N1CCNCC1
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
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA and EMA (2013))
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
9279 vortioxetine
Synonyms Click here for help
Brintellix® | compound 5m [PMID: 21486038] | Lu AA21004 | Trintellix®
Database Links Click here for help
Specialist databases
GPCRdb Ligand vortioxetine
Other databases
CAS Registry No. 508233-74-7 (source: Scifinder)
ChEMBL Ligand CHEMBL2104993
DrugCentral Ligand 4806
GtoPdb PubChem SID 178103923
PubChem CID 9966051
Search Google for chemical match using the InChIKey YQNWZWMKLDQSAC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YQNWZWMKLDQSAC
Search PubMed clinical trials vortioxetine
Search PubMed titles vortioxetine
Search PubMed titles/abstracts vortioxetine
UniChem Compound Search for chemical match using the InChIKey YQNWZWMKLDQSAC-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YQNWZWMKLDQSAC-UHFFFAOYSA-N
Wikipedia Vortioxetine