Vortioxetine (CED0004958)

Record Information

Version

1.0

Creation Date

2026-04-14 17:37:15 UTC

Update Date

2026-08-20 00:48:43 UTC

SynCED ID

CED0004958

Secondary Accession Numbers

CHEM130319

Identification

Common Name

Vortioxetine

Class

Small Molecule

Description

Vortioxetine is an organic compound with the formula C18H22N2S and an average molecular weight of 298.45 g/mol. Vortioxetine belongs to the piperazines, a subclass of diazinanes within the organic compounds. It is classified as an organoheterocyclic compound. This compound is found in or released from one recorded source: healthcare, pharmaceuticals & veterinary products, specifically antidepressants. The recorded route of exposure is oral. Vortioxetine interacts with seven recorded protein targets. It acts as an agonist, antagonist, blocker, inhibitor, ligand, or partial agonist of the sodium-dependent serotonin transporter (SLC6A4), 5-hydroxytryptamine receptor 3A (HTR3A), 5-hydroxytryptamine receptor 7 (HTR7), and 5-hydroxytryptamine receptor 1B (HTR1B), in addition to three other proteins.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₂₂N₂S

Average Molecular Mass

298.450 g/mol

Monoisotopic Mass

298.150 g/mol

CAS Registry Number

508233-74-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=CC=C(SC2=CC=CC=C2N2CCNCC2)C(C)=C1

InChI Identifier

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

InChI Key

YQNWZWMKLDQSAC-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-052o-1980000000-f946530f9325fe92b2f1	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
932.0 Log mg/kg [520:1700]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000377	Antidepressants?Antidepressants, a class of synthetic chemicals designed to alleviate symptoms of depression and anxiety, can enter the environment through various pathways, leading to contamination of water systems.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000518	Electrically Stimulated Smoking Devices?Electrically stimulated smoking devices, commonly known as e-cigarettes or vape pens, utilize electrical components to heat a liquid solution, often containing nicotine, flavorings, and other additives, to produce an aerosol for inhalation.	Electrical & Electronic Equipment	Not Available
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	Not Available
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	Not Available

Pathways

2 pathwaysPathway Source: PathBank

Vortioxetine Serotonin Action Action Pathway

Vortioxetine Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.777 Applicability Domain 1.0 Statistical Significance 7.00e-05 Supporting Reference Compounds 953 E-value 0.544945
Click to view 3D structure	5-hydroxytryptamine receptor 3A	P46098	Humans	Predicted (SEA)	Prediction Confidence Score 0.777 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 228 E-value 0.0778492
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.777 Applicability Domain 1.0 Statistical Significance 2.00e-05 Supporting Reference Compounds 297 E-value 0.155698
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.622 Applicability Domain 1.0 Statistical Significance 5.00e-04 Supporting Reference Compounds 565 E-value 3.89246
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.573 Applicability Domain 1.0 Statistical Significance 0.0011 Supporting Reference Compounds 593 E-value 8.25202
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.544 Applicability Domain 0.973 Statistical Significance 0.0017 Supporting Reference Compounds 1130 E-value 13.1565
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.533 Applicability Domain 0.973 Statistical Significance 0.001 Supporting Reference Compounds 203 E-value 7.94062
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.522 Applicability Domain 0.973 Statistical Significance 0.0014 Supporting Reference Compounds 536 E-value 10.8989
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.503 Applicability Domain 0.973 Statistical Significance 0.0033 Supporting Reference Compounds 823 E-value 25.5345
Click to view 3D structure	Beta-1 adrenergic receptor	P08588	Humans	Predicted (SEA)	Prediction Confidence Score 0.501 Applicability Domain 0.973 Statistical Significance 6.40e-04 Supporting Reference Compounds 180 E-value 4.98235
Click to view 3D structure	5-hydroxytryptamine receptor 5A	P47898	Humans	Predicted (SEA)	Prediction Confidence Score 0.5 Applicability Domain 0.973 Statistical Significance 4.70e-04 Supporting Reference Compounds 225 E-value 3.65891
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.491 Applicability Domain 0.973 Statistical Significance 0.0056 Supporting Reference Compounds 955 E-value 43.5177
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.453 Applicability Domain 0.973 Statistical Significance 0.0093 Supporting Reference Compounds 1538 E-value 72.3219
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	Prediction Confidence Score 0.446 Applicability Domain 0.973 Statistical Significance 0.0027 Supporting Reference Compounds 337 E-value 21.0193
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.44 Applicability Domain 0.973 Statistical Significance 0.0048 Supporting Reference Compounds 507 E-value 37.679
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.43 Applicability Domain 0.442 Statistical Significance 0.0094 Supporting Reference Compounds 541 E-value 72.8669
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.424 Applicability Domain 0.973 Statistical Significance 0.0019 Supporting Reference Compounds 258 E-value 14.8692
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.421 Applicability Domain 0.442 Statistical Significance 0.0116 Supporting Reference Compounds 528 E-value 90.5386
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28564	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.421 Applicability Domain 0.442 Statistical Significance 0.0023 Supporting Reference Compounds 154 E-value 17.9053
Click to view 3D structure	D(1A) dopamine receptor	P18901	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.421 Applicability Domain 0.442 Statistical Significance 0.004 Supporting Reference Compounds 206 E-value 31.1397
Click to view 3D structure	Alpha-1A adrenergic receptor	P43140	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.38 Applicability Domain 0.52 Statistical Significance 0.0062 Supporting Reference Compounds 208 E-value 48.2665
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.377 Applicability Domain 0.432 Statistical Significance 0.0276 Supporting Reference Compounds 1103 E-value 214.942
Click to view 3D structure	Histamine H2 receptor	P25021	Humans	Predicted (SEA)	Prediction Confidence Score 0.373 Applicability Domain 0.973 Statistical Significance 0.0047 Supporting Reference Compounds 256 E-value 36.8227
Click to view 3D structure	5-hydroxytryptamine receptor 3A	P35563	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.364 Applicability Domain 0.973 Statistical Significance 0.0011 Supporting Reference Compounds 36 E-value 8.40772
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.339 Applicability Domain 0.409 Statistical Significance 0.031 Supporting Reference Compounds 562 E-value 241.488