Trifarotene (CED0014781)

Record Information

Version

1.0

Creation Date

2026-04-05 14:00:37 UTC

Update Date

2026-08-22 09:05:12 UTC

SynCED ID

CED0014781

Secondary Accession Numbers

CHEM103524

Identification

Common Name

Trifarotene

Class

Small Molecule

Description

Trifarotene is an organic compound with the formula C29H33NO4 and an average molecular weight of 459.59 g/mol. Trifarotene belongs to the terphenyls, a subclass of benzene and substituted derivatives within the organic compounds. This compound is recorded as being found in or released from two sources: building and construction floors, and healthcare, pharmaceuticals and veterinary products specifically used in anti-acne preparations. The recorded route of exposure is topical. Trifarotene acts as an agonist for three protein targets: Retinoic acid receptor gamma (RARG), Retinoic acid receptor alpha (RARA), and Retinoic acid receptor beta (RARB).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₉H₃₃NO₄

Average Molecular Mass

459.586 g/mol

Monoisotopic Mass

459.241 g/mol

CAS Registry Number

895542-09-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)(C)C1=C(C=CC(=C1)C1=C(OCCO)C=CC(=C1)C1=CC=C(C=C1)C(O)=O)N1CCCC1

InChI Identifier

InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)

InChI Key

MFBCDACCJCDGBA-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 LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03dl-0001900000-d5b6a62aff81026edd11	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-01ow-3017900000-712e3f6954f265e246bc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fr2-2019000000-259c761e96857e7c09d1	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0bt9-0001900000-a931d899f1446ce1248c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-1017900000-5c8129886ac7474ec1cf	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-02mj-1019100000-223b86e21fa701a40e41	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0003900000-5cd0a1fa8bcc7a5a21b9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0292-0005900000-333608a3eaf294ff1247	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00dj-7009400000-3a18b9bb14814ce31b45	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-08fr-0001900000-16e2650a7f614e575221	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-08fr-4006900000-910886ca2a06c60d7ddc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0c03-1009200000-838bc4bdd33543bcd81b	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
1073.0 Log mg/kg [600:1900]	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
CEDs000314	Anti-acne preparations?Anti-acne preparations often contain synthetic chemicals such as benzoyl peroxide, salicylic acid, and various retinoids.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000497	Floors?Floors in built environments can be a significant source of synthetic chemical contamination due to the materials and finishes used in their construction.	Building & Construction	Not Available
CEDs000545	Food Preservation?Food preservation often involves the use of synthetic chemicals, such as preservatives, flavor enhancers, and color additives, to extend shelf life and enhance the sensory qualities of food products.	Food, food processing & cookware	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

1 pathwayPathway Source: PathBank

Trifarotene Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Histamine H1 receptor	P35367	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.289 Low confidence Statistical Significance 0.0896 Supporting Reference Compounds 507 E-value 697.84
Click to view 3D structure	Histamine H3 receptor	Q9Y5N1	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.289 Low confidence Statistical Significance 0.0576 Supporting Reference Compounds 294 E-value 448.1
Click to view 3D structure	5-hydroxytryptamine receptor 1D	P28221	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.289 Low confidence Statistical Significance 0.0587 Supporting Reference Compounds 365 E-value 457.286
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.289 Low confidence Statistical Significance 0.0969 Supporting Reference Compounds 541 E-value 754.437
Click to view 3D structure	UDP-3-O-acyl-N-acetylglucosamine deacetylase	O67648	Aquifex aeolicus (strain VF5)	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.274 Low confidence Statistical Significance 0.008 Supporting Reference Compounds 1 E-value 62.5908
Click to view 3D structure	Metallo beta-lactamase	Q6TUJ4	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.274 Low confidence Statistical Significance 6.60e-04 Supporting Reference Compounds 1 E-value 5.13805
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.289 Low confidence Statistical Significance 0.0855 Supporting Reference Compounds 536 E-value 665.455
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.289 Low confidence Statistical Significance 0.0847 Supporting Reference Compounds 487 E-value 659.305
Click to view 3D structure	Histamine H2 receptor	P25021	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.293 Low confidence Statistical Significance 0.0467 Supporting Reference Compounds 256 E-value 363.322
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.282 Low confidence Statistical Significance 0.1127 Supporting Reference Compounds 524 E-value 877.75
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.289 Low confidence Statistical Significance 0.1486 Supporting Reference Compounds 953 E-value 1156.61
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.289 Low confidence Statistical Significance 0.0917 Supporting Reference Compounds 506 E-value 713.877
Click to view 3D structure	Lipoprotein lipase	P11151	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.271 Low confidence Statistical Significance 0.0019 Supporting Reference Compounds 1 E-value 14.48
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28564	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.289 Low confidence Statistical Significance 0.0353 Supporting Reference Compounds 154 E-value 275.119
Click to view 3D structure	Metabotropic glutamate receptor 2	P31421	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.305 Statistical Significance 0.0061 Supporting Reference Compounds 53 E-value 47.488
Click to view 3D structure	Retinoic acid receptor beta	P10826	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.303 Statistical Significance 0.0038 Supporting Reference Compounds 47 E-value 29.5827
Click to view 3D structure	Beta-3 adrenergic receptor	P13945	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.305 Statistical Significance 0.0178 Supporting Reference Compounds 145 E-value 138.338
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.289 Low confidence Statistical Significance 0.1284 Supporting Reference Compounds 686 E-value 999.74
Click to view 3D structure	Retinoic acid receptor RXR-alpha	P19793	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.303 Statistical Significance 0.0073 Supporting Reference Compounds 82 E-value 56.9856
Click to view 3D structure	Uncharacterized protein	A0A2J8P2M1	Pan troglodytes	Predicted (SEA)	Prediction Confidence Score 0.266 Applicability Domain 0.297 Low confidence Statistical Significance 3.50e-04 Supporting Reference Compounds 3 E-value 2.72472
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.305 Statistical Significance 0.0663 Supporting Reference Compounds 593 E-value 516.218
Click to view 3D structure	Retinoic acid receptor gamma	P13631	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.359 Statistical Significance 0.0036 Supporting Reference Compounds 52 E-value 27.9479
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.282 Applicability Domain 0.289 Low confidence Statistical Significance 0.1342 Supporting Reference Compounds 1103 E-value 1044.58
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.282 Low confidence Statistical Significance 0.2917 Supporting Reference Compounds 1498 E-value 2270.63
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.276 Applicability Domain 0.284 Low confidence Statistical Significance 0.1239 Supporting Reference Compounds 861 E-value 964.941