Zidometacin (CED0052212)

Record Information

Version

1.0

Creation Date

2026-04-04 08:21:40 UTC

Update Date

2026-08-29 13:45:17 UTC

SynCED ID

CED0052212

Secondary Accession Numbers

CHEM073036

Identification

Common Name

Zidometacin

Class

Small Molecule

Description

Zidometacin belongs to the benzoylindoles, a subclass of indoles and derivatives within the organic compounds. It is an organoheterocyclic compound with the formula C19H16N4O4 and an average molecular weight of 364.36 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₁₆N₄O₄

Average Molecular Mass

364.361 g/mol

Monoisotopic Mass

364.117 g/mol

CAS Registry Number

62851-43-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(C=C1)N=[N+]=[N-])C(C)=C2CC(O)=O

InChI Identifier

InChI=1S/C19H16N4O4/c1-11-15(10-18(24)25)16-9-14(27-2)7-8-17(16)23(11)19(26)12-3-5-13(6-4-12)21-22-20/h3-9H,10H2,1-2H3,(H,24,25)

InChI Key

DCXHLPGLBYHNMU-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

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
519.0 Log mg/kg [290:920]	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

Exposure Sources

Source ID	Source	Sector	Reference
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	PubChem
CEDs000569	Tobacco Smoke Filters?Tobacco smoke filters are designed to reduce the inhalation of harmful substances in cigarette smoke, including tar and other particulate matter.	Household cleaning & consumer products	PubChem
CEDs000605	Pest Repellants?Pest repellents, often formulated from synthetic chemicals, are widely used to protect crops from insect infestations and other pests.	Agriculture & land management	PubChem
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	PubChem
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	PubChem
CEDs000611	Anti Perspirants Or Body Deoderants?Antiperspirants and body deodorants commonly contain synthetic chemicals such as aluminum compounds, parabens, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000613	Depilatories?Depilatories are products designed to remove unwanted hair through the application of synthetic chemicals that break down the protein structure of hair, facilitating its removal.	Personal care & cosmetics	PubChem
CEDs000615	Eye Makeup Products?Eye makeup products, including mascaras, eyeliners, and eyeshadows, often contain a variety of synthetic chemicals such as pigments, preservatives, and film-forming agents.	Personal care & cosmetics	PubChem
CEDs000617	Lip Care Products?Lip care products, including lipsticks, balms, and glosses, often contain a variety of synthetic chemicals such as parabens, phthalates, and synthetic fragrances.	Personal care & cosmetics	PubChem
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	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
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem

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 0.567 Applicability Domain 0.714 Statistical Significance 3.20e-04 Supporting Reference Compounds 201 E-value 2.49118
Click to view 3D structure	Aldo-keto reductase family 1 member C3	P42330	Humans	Predicted (SEA)	Prediction Confidence Score 0.546 Applicability Domain 0.714 Statistical Significance 2.80e-04 Supporting Reference Compounds 57 E-value 2.17978
Click to view 3D structure	Prostaglandin D2 receptor	P70263	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.522 Applicability Domain 0.714 Statistical Significance 1.10e-04 Supporting Reference Compounds 13 E-value 0.856341
Click to view 3D structure	Prostaglandin E2 receptor EP1 subtype	P35375	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.519 Applicability Domain 0.714 Statistical Significance 2.00e-04 Supporting Reference Compounds 24 E-value 1.55698
Click to view 3D structure	Prostaglandin E2 receptor EP3 subtype	P30557	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.519 Applicability Domain 0.714 Statistical Significance 2.20e-04 Supporting Reference Compounds 32 E-value 1.71268
Click to view 3D structure	Prostaglandin E2 receptor EP4 subtype	P32240	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.519 Applicability Domain 0.714 Statistical Significance 2.20e-04 Supporting Reference Compounds 29 E-value 1.71268
Click to view 3D structure	Prostaglandin E2 receptor EP2 subtype	Q62053	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.507 Applicability Domain 0.714 Statistical Significance 2.00e-04 Supporting Reference Compounds 25 E-value 1.55698
Click to view 3D structure	Aldo-keto reductase family 1 member C2	P52895	Humans	Predicted (SEA)	Prediction Confidence Score 0.504 Applicability Domain 0.714 Statistical Significance 3.60e-04 Supporting Reference Compounds 40 E-value 2.80257
Click to view 3D structure	Prostaglandin G/H synthase 1	P23219	Humans	Predicted (SEA)	Prediction Confidence Score 0.5 Applicability Domain 0.714 Statistical Significance 3.20e-04 Supporting Reference Compounds 136 E-value 2.49118
Click to view 3D structure	Prostaglandin G/H synthase 2	Q05769	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.496 Applicability Domain 0.714 Statistical Significance 2.90e-04 Supporting Reference Compounds 43 E-value 2.25763
Click to view 3D structure	Prostaglandin G/H synthase 1	P05979	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.441 Applicability Domain 0.714 Statistical Significance 6.80e-04 Supporting Reference Compounds 106 E-value 5.29375
Click to view 3D structure	Aldo-keto reductase family 1 member C4	P17516	Humans	Predicted (SEA)	Prediction Confidence Score 0.4 Applicability Domain 0.471 Statistical Significance 3.60e-04 Supporting Reference Compounds 20 E-value 2.80257
Click to view 3D structure	Aldo-keto reductase family 1 member C1	Q04828	Humans	Predicted (SEA)	Prediction Confidence Score 0.4 Applicability Domain 0.471 Statistical Significance 3.70e-04 Supporting Reference Compounds 29 E-value 2.88042
Click to view 3D structure	Prostaglandin D2 receptor 2	Q9Y5Y4	Humans	Predicted (SEA)	Prediction Confidence Score 0.38 Applicability Domain 0.714 Statistical Significance 0.0011 Supporting Reference Compounds 61 E-value 8.71911
Click to view 3D structure	Prostaglandin G/H synthase 2	P35355	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.372 Applicability Domain 0.714 Statistical Significance 5.00e-05 Supporting Reference Compounds 8 E-value 0.389246
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P07943	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.371 Applicability Domain 0.714 Statistical Significance 0.0015 Supporting Reference Compounds 70 E-value 11.8331
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.367 Applicability Domain 0.714 Statistical Significance 0.0036 Supporting Reference Compounds 146 E-value 28.415
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P16116	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.362 Applicability Domain 0.714 Statistical Significance 8.50e-04 Supporting Reference Compounds 21 E-value 6.61718
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.361 Applicability Domain 0.714 Statistical Significance 0.0485 Supporting Reference Compounds 1301 E-value 377.413
Click to view 3D structure	Prostacyclin receptor	P43119	Humans	Predicted (SEA)	Prediction Confidence Score 0.345 Applicability Domain 0.432 Statistical Significance 9.60e-04 Supporting Reference Compounds 63 E-value 7.47353
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	Prediction Confidence Score 0.344 Applicability Domain 0.714 Statistical Significance 0.0033 Supporting Reference Compounds 84 E-value 25.4567
Click to view 3D structure	Polyunsaturated fatty acid 5-lipoxygenase	P09917	Humans	Predicted (SEA)	Prediction Confidence Score 0.315 Applicability Domain 0.714 Statistical Significance 0.0088 Supporting Reference Compounds 182 E-value 68.8966
Click to view 3D structure	Prostaglandin-H2 D-isomerase	O09114	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.714 Statistical Significance 9.80e-04 Supporting Reference Compounds 7 E-value 7.62922
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.714 Statistical Significance 0.0022 Supporting Reference Compounds 50 E-value 17.5161
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.486 Statistical Significance 0.0721 Supporting Reference Compounds 553 E-value 561.215