Torcetrapib (CED0007013)

Record Information

Version

1.0

Creation Date

2026-04-05 12:19:30 UTC

Update Date

2026-08-22 06:13:45 UTC

SynCED ID

CED0007013

Secondary Accession Numbers

CHEM101305

Identification

Common Name

Torcetrapib

Class

Small Molecule

Description

Torcetrapib is an organic compound with the chemical formula C26H25F9N2O4. Torcetrapib belongs to the hydroquinolines, a subclass of quinolines and derivatives within the organic compounds. With an average molecular weight of 600.48 g/mol, Torcetrapib is a heavy molecule. It is classified as an organoheterocyclic compound. In terms of biological activity, Torcetrapib acts as an antagonist of cholesteryl ester transfer protein (CETP).

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂₆H₂₅F₉N₂O₄

Average Molecular Mass

600.482 g/mol

Monoisotopic Mass

600.167 g/mol

CAS Registry Number

262352-17-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CCOC(=O)N1[C@H](CC)C[C@H](N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)C(=O)OC)C2=C1C=CC(=C2)C(F)(F)F

InChI Identifier

InChI=1S/C26H25F9N2O4/c1-4-18-12-21(19-11-15(24(27,28)29)6-7-20(19)37(18)23(39)41-5-2)36(22(38)40-3)13-14-8-16(25(30,31)32)10-17(9-14)26(33,34)35/h6-11,18,21H,4-5,12-13H2,1-3H3/t18-,21+/m1/s1

InChI Key

CMSGWTNRGKRWGS-NQIIRXRSSA-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

metabolite (PMC13362805 )?A chemical produced during metabolism process, as an intermediate or end-product
CETP inhibitor (PMC4381214 )?
antioxidant (PMC8401408 )?
buffer (PMC3820302 )?
nucleophilic reagent (PMC6154742 )?

Chemical Roles

Not Available

Organoleptic Effects

floral odour ?
acrid odour ?

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	splash10-0udi-0000095000-3302eb4b6ae344f18768	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-07xs-0000590000-f16d0f786a6c373f262a	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014i-0020910000-f8908937f5d488e49ccb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fxt-1000090000-0ed9491207d4e9183a5d	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0fk9-2000090000-ef2f689abec51051efea	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-5041490000-9fa47a75e42cfaafca01	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
781.0 Log mg/kg [440:1400]	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	Description	Reference
inflammation	Associated With?	Not Available	Not Available	PMC8780937
Oxidative Stress	Associated With?	Not Available	Not Available	PMC13217176

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000050	Groundwater?Groundwater serves as a vital resource for drinking water and agricultural irrigation but is increasingly susceptible to contamination from synthetic chemicals.	Aquatic systems & sediments	PMC13087888
CEDs000115	Drinking water?Drinking water can be a medium for synthetic chemical contamination, often originating from various industrial processes and agricultural practices.	Drinking water & water supply	PMC7725277
CEDs000233	Brushes?Brushes used in personal care and cosmetics can be a source of synthetic chemical contamination due to the materials and coatings used in their manufacturing.	Personal care & cosmetics	PubChem
CEDs000240	Dental materials?Dental materials, including composites, adhesives, and dental amalgams, are widely used in restorative and preventive dental procedures.	Healthcare, pharmaceuticals & veterinary products	PMC11942826
CEDs000464	Leachate?Leachate is a liquid that forms when water percolates through waste material, dissolving soluble compounds and carrying various contaminants.	Waste management, landfill & incineration	PMC12444535
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	PubChem
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	PubChem
CEDs000727	Printing Machines Or Presses?Printing machines or presses commonly utilize synthetic chemicals such as inks, solvents, and cleaning agents.	Paper, pulp & fiber products	PubChem
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	PubChem
CEDs00754	Biochar	Agriculture & land management	PMC8583561 , PMC9077033
CEDs01231	Wines	Food, food processing & cookware	PMC10814861
CEDs01348	Rice Straw	Food, food processing & cookware	PMC12197902
CEDs01495	Fruit Extract	Food, food processing & cookware	PMC11962719
CEDs01879	Resin	Industrial manufacturing & chemical processing	PMC8707211
CEDs01886	Plastic	Industrial manufacturing & chemical processing	PMC7521044
CEDs01887	Microplastics	Industrial manufacturing & chemical processing	PMC8350543
CEDs02051	Polymer Resin	Industrial manufacturing & chemical processing	PMC11931416
CEDs02255	Water	Aquatic systems & sediments	PMC8583215 , PMC5306312
CEDs02578	Karst Aquifer	Aquatic systems & sediments	PMC13274488
CEDs03203	Textile	Textiles, leather & furnishings	PMC6523419
CEDs03347	Dye-sensitized Solar Cells	Electrical & Electronic Equipment	PMC7254496

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Substance-P receptor	P25103	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.274 Low confidence Statistical Significance 0.0612 Supporting Reference Compounds 122 E-value 476.126
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.295 Low confidence Statistical Significance 0.3764 Supporting Reference Compounds 1245 E-value 2930.24
Click to view 3D structure	Phosphatidylcholine:ceramide cholinephosphotransferase 2	Q9D4B1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.262 Applicability Domain 0.274 Low confidence Statistical Significance 4.60e-04 Supporting Reference Compounds 2 E-value 3.58106
Click to view 3D structure	Voltage-dependent L-type calcium channel subunit alpha-1C	Q13936	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.278 Low confidence Statistical Significance 0.0115 Supporting Reference Compounds 71 E-value 89.3709
Click to view 3D structure	Cytochrome P450 2C8	P10632	Humans	Predicted (SEA)	Prediction Confidence Score 0.253 Applicability Domain 0.278 Low confidence Statistical Significance 0.1067 Supporting Reference Compounds 305 E-value 831.04
Click to view 3D structure	Cholesteryl ester transfer protein	P11597	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.274 Low confidence Statistical Significance 0.0023 Supporting Reference Compounds 18 E-value 17.8275
Click to view 3D structure	Sphingosine 1-phosphate receptor 1	P21453	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.264 Low confidence Statistical Significance 0.052 Supporting Reference Compounds 126 E-value 404.582
Click to view 3D structure	Sphingosine 1-phosphate receptor 5	Q9H228	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.264 Low confidence Statistical Significance 0.0329 Supporting Reference Compounds 49 E-value 255.968
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.272 Low confidence Statistical Significance 0.1843 Supporting Reference Compounds 593 E-value 1434.99
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.266 Low confidence Statistical Significance 0.5317 Supporting Reference Compounds 1498 E-value 4139.55
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.265 Low confidence Statistical Significance 0.5597 Supporting Reference Compounds 1538 E-value 4356.99
Click to view 3D structure	SRSF protein kinase 1	O70551	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.25 Low confidence Statistical Significance 0.0149 Supporting Reference Compounds 1 E-value 115.84
Click to view 3D structure	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	Prediction Confidence Score 0.247 Applicability Domain 0.264 Low confidence Statistical Significance 0.4305 Supporting Reference Compounds 1130 E-value 3351.18
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.246 Applicability Domain 0.257 Low confidence Statistical Significance 0.4994 Supporting Reference Compounds 1130 E-value 3887.79
Click to view 3D structure	Tyrosine-protein kinase BTK	Q06187	Humans	Predicted (SEA)	Prediction Confidence Score 0.245 Applicability Domain 0.264 Low confidence Statistical Significance 0.366 Supporting Reference Compounds 798 E-value 2849.05
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.28 Low confidence Statistical Significance 0.33 Supporting Reference Compounds 823 E-value 2568.71
Click to view 3D structure	C-C chemokine receptor type 2	P41597	Humans	Predicted (SEA)	Prediction Confidence Score 0.243 Applicability Domain 0.253 Low confidence Statistical Significance 0.0437 Supporting Reference Compounds 72 E-value 339.968
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.242 Applicability Domain 0.264 Low confidence Statistical Significance 0.4342 Supporting Reference Compounds 961 E-value 3380.29
Click to view 3D structure	Solute carrier organic anion transporter family member 1B1	Q9Y6L6	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.278 Low confidence Statistical Significance 0.018 Supporting Reference Compounds 82 E-value 139.973
Click to view 3D structure	Mitogen-activated protein kinase 8	P45983	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.264 Low confidence Statistical Significance 0.4264 Supporting Reference Compounds 782 E-value 3319.88
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.241 Applicability Domain 0.266 Low confidence Statistical Significance 0.3858 Supporting Reference Compounds 955 E-value 3003.42
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.266 Low confidence Statistical Significance 0.2818 Supporting Reference Compounds 562 E-value 2193.56
Click to view 3D structure	1,3-beta-glucan synthase	Q4WLT4	Aspergillus	Predicted (SEA)	Prediction Confidence Score 0.24 Applicability Domain 0.24 Low confidence Statistical Significance 0.0063 Supporting Reference Compounds 1 E-value 48.7336
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.245 Low confidence Statistical Significance 0.1478 Supporting Reference Compounds 192 E-value 1150.53
Click to view 3D structure	Serine/threonine-protein kinase pim-1	P11309	Humans	Predicted (SEA)	Prediction Confidence Score 0.239 Applicability Domain 0.264 Low confidence Statistical Significance 0.4639 Supporting Reference Compounds 967 E-value 3611.35
Click to view 3D structure	Albumin	P02768	Humans	Known	Not Available