2Prime_hydroxy_indomethacin_phenethylamide (CED0129319)

Record Information

Version

1.0

Creation Date

2026-04-06 09:31:48 UTC

Update Date

2026-05-21 10:29:27 UTC

SynCED ID

CED0129319

Secondary Accession Numbers

CHEM121711

Identification

Common Name

2Prime_hydroxy_indomethacin_phenethylamide

Class

Small Molecule

Description

2Prime_hydroxy_indomethacin_phenethylamide belongs to the benzoylindoles, a subclass of indoles and derivatives within the organic compounds. This organoheterocyclic compound has been identified in or released from 13 recorded sources across several diverse sectors. Within the healthcare, pharmaceuticals & veterinary products sector, it is associated with medical devices. Its presence is also noted in the energy, oil & gas and industrial manufacturing & chemical processing sectors, specifically in lubricants. The compound is found in food packaging within the food, food processing & cookware sector. In the textiles, leather & furnishings sector, it is linked to synthetic textiles as well as carpets and rugs. Additionally, it is released from electrical & electronic equipment, including cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It has also been identified in one additional sector. Recorded routes of exposure for 2Prime_hydroxy_indomethacin_phenethylamide include oral ingestion, inhalation, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

Not Available

Average Molecular Mass

Not Available

Monoisotopic Mass

Not Available

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C27H25ClN2O4/c1-17-22(15-26(32)29-16-25(31)18-6-4-3-5-7-18)23-14-21(34-2)12-13-24(23)30(17)27(33)19-8-10-20(28)11-9-19/h3-14,25,31H,15-16H2,1-2H3,(H,29,32)/t25-/m1/s1

InChI Key

AOIQKSHKQIJFMK-RUZDIDTESA-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

Not Available

Toxicity Profile

Toxicity Values

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
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available

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	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.595 Applicability Domain 0.677 Statistical Significance 2.40e-04 Supporting Reference Compounds 201 E-value 1.86838
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	Prediction Confidence Score 0.554 Applicability Domain 0.677 Statistical Significance 2.50e-04 Supporting Reference Compounds 57 E-value 1.94623
Click to view 3D structure	Aldo-keto reductase family 1 member C2	P52895	Humans	Predicted (SEA)	Prediction Confidence Score 0.512 Applicability Domain 0.677 Statistical Significance 3.00e-04 Supporting Reference Compounds 40 E-value 2.33548
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.509 Applicability Domain 0.677 Statistical Significance 2.70e-04 Supporting Reference Compounds 136 E-value 2.10193
Click to view 3D structure	Prostaglandin G/H synthase 2	Q05769	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.501 Applicability Domain 0.677 Statistical Significance 2.70e-04 Supporting Reference Compounds 43 E-value 2.10193
Click to view 3D structure	Prostaglandin D2 receptor	P70263	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.461 Applicability Domain 0.677 Statistical Significance 2.30e-04 Supporting Reference Compounds 13 E-value 1.79053
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P35375	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.458 Applicability Domain 0.677 Statistical Significance 3.50e-04 Supporting Reference Compounds 24 E-value 2.72472
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P30557	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.458 Applicability Domain 0.677 Statistical Significance 4.30e-04 Supporting Reference Compounds 32 E-value 3.34752
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P32240	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.458 Applicability Domain 0.677 Statistical Significance 3.60e-04 Supporting Reference Compounds 29 E-value 2.80257
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	Q62053	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.451 Applicability Domain 0.677 Statistical Significance 3.60e-04 Supporting Reference Compounds 25 E-value 2.80257
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.451 Applicability Domain 0.677 Statistical Significance 5.50e-04 Supporting Reference Compounds 106 E-value 4.28171
Click to view 3D structure	Aldo-keto reductase family 1 member C4	P17516	Humans	Predicted (SEA)	Prediction Confidence Score 0.438 Applicability Domain 0.5 Statistical Significance 3.00e-04 Supporting Reference Compounds 20 E-value 2.33548
Click to view 3D structure	Aldo-keto reductase family 1 member C1	Q04828	Humans	Predicted (SEA)	Prediction Confidence Score 0.438 Applicability Domain 0.5 Statistical Significance 2.80e-04 Supporting Reference Compounds 29 E-value 2.17978
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.389 Applicability Domain 0.677 Statistical Significance 0.0345 Supporting Reference Compounds 1301 E-value 268.736
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.38 Applicability Domain 0.677 Statistical Significance 0.0031 Supporting Reference Compounds 146 E-value 24.0554
Click to view 3D structure	Prostaglandin D2 receptor 2	Q9Y5Y4	Humans	Predicted (SEA)	Prediction Confidence Score 0.378 Applicability Domain 0.677 Statistical Significance 0.0012 Supporting Reference Compounds 61 E-value 9.18621
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	Prediction Confidence Score 0.347 Applicability Domain 0.677 Statistical Significance 0.0052 Supporting Reference Compounds 182 E-value 40.8708
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	Prediction Confidence Score 0.343 Applicability Domain 0.677 Statistical Significance 0.0033 Supporting Reference Compounds 84 E-value 25.7681
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P07943	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.343 Applicability Domain 0.677 Statistical Significance 0.0024 Supporting Reference Compounds 70 E-value 18.6838
Click to view 3D structure	Prostaglandin G/H synthase 2	P35355	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.342 Applicability Domain 0.677 Statistical Significance 1.50e-04 Supporting Reference Compounds 8 E-value 1.16774
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P16116	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.339 Applicability Domain 0.677 Statistical Significance 0.0012 Supporting Reference Compounds 21 E-value 9.18621
Click to view 3D structure	Prostacyclin receptor	P43119	Humans	Predicted (SEA)	Prediction Confidence Score 0.336 Applicability Domain 0.442 Statistical Significance 0.001 Supporting Reference Compounds 63 E-value 8.09632
Click to view 3D structure	Sterol 14-alpha demethylase	Q7Z1V1	Trypanosoma cruzi (strain CL Brener)	Predicted (SEA)	Prediction Confidence Score 0.325 Applicability Domain 0.566 Statistical Significance 3.40e-04 Supporting Reference Compounds 16 E-value 2.64687
Click to view 3D structure	Solute carrier family 2, facilitated glucose transporter member 1	P11167	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.316 Applicability Domain 0.519 Statistical Significance 2.40e-04 Supporting Reference Compounds 2 E-value 1.86838
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.315 Applicability Domain 0.677 Statistical Significance 0.0016 Supporting Reference Compounds 50 E-value 12.8451