Metribolone (CED0014407)

Record Information

Version

1.0

Creation Date

2026-04-13 22:06:03 UTC

Update Date

2026-05-14 17:47:36 UTC

SynCED ID

CED0014407

Secondary Accession Numbers

CHEM128580

Identification

Common Name

Metribolone

Class

Small Molecule

Description

Metribolone is an organic compound with the chemical formula C19H24O2 and an average molecular weight of 284.39 g/mol. Metribolone belongs to the estrane steroids, a subclass of steroids and steroid derivatives within the organic compounds. This compound interacts with five recorded protein targets. It functions as an activator or inhibitor of the androgen receptor (AR), progesterone receptor (PGR), mineralocorticoid receptor (NR3C2), and nuclear receptor coactivator 2 (NCOA2), as well as one other protein.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₉H₂₄O₂

Average Molecular Mass

284.393 g/mol

Monoisotopic Mass

284.178 g/mol

CAS Registry Number

965-93-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[H][C@@]12CC[C@](C)(O)[C@@]1(C)C=CC1=C3CCC(=O)C=C3CC[C@@]21[H]

InChI Identifier

InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1

InChI Key

CCCIJQPRIXGQOE-XWSJACJDSA-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

agonist (PMC5572750 , PMC5572750 )?
androgen (PMC2884396 )?

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	splash10-014r-0090000000-2f4eb0008177c67f98a9	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014r-0190000000-a84eaec85da397bfe8d4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-4790000000-1e89dae1e3b6fc8f25a0	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0090000000-efbdbee155c4d0e4da51	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-001i-0090000000-9bec8d78629f38e517ce	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-014r-0090000000-85af9d907ddc9efc0dc6	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
3033.0 Log mg/kg [1700:5400]	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
CEDs000483	WWTP effluent?Wastewater treatment plant (WWTP) effluent can serve as a significant source of synthetic chemical contamination in the environment.	Wastewater, sanitation & biosolids	PMC9720157
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	PubChem
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
CEDs000580	Manufacture Preparation Of Tobacco Products?The manufacture and preparation of tobacco products involve various processes that can result in the introduction of synthetic chemicals into the environment.	Industrial manufacturing & chemical processing	PubChem
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	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
CEDs02407	Danube River	Aquatic systems & sediments	PMC9720157

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	Sex hormone-binding globulin	P08689	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.609 Applicability Domain 1.0 Statistical Significance 1.00e-05 Supporting Reference Compounds 2 E-value 0.0778492
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	Prediction Confidence Score 0.515 Applicability Domain 1.0 Statistical Significance 4.50e-04 Supporting Reference Compounds 119 E-value 3.50322
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.501 Applicability Domain 1.0 Statistical Significance 5.20e-04 Supporting Reference Compounds 73 E-value 4.04816
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	Prediction Confidence Score 0.486 Applicability Domain 1.0 Statistical Significance 9.60e-04 Supporting Reference Compounds 154 E-value 7.47353
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.484 Applicability Domain 1.0 Statistical Significance 9.40e-04 Supporting Reference Compounds 146 E-value 7.31783
Click to view 3D structure	Mineralocorticoid receptor	P08235	Humans	Predicted (SEA)	Prediction Confidence Score 0.442 Applicability Domain 1.0 Statistical Significance 6.80e-04 Supporting Reference Compounds 74 E-value 5.29375
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.332 Applicability Domain 0.384 Statistical Significance 0.0015 Supporting Reference Compounds 40 E-value 11.7552
Click to view 3D structure	Glucocorticoid receptor	Q9N1U3	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.314 Applicability Domain 0.384 Statistical Significance 2.70e-04 Supporting Reference Compounds 2 E-value 2.10193
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	Prediction Confidence Score 0.314 Applicability Domain 0.356 Statistical Significance 0.0024 Supporting Reference Compounds 33 E-value 18.9952
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.306 Applicability Domain 0.384 Statistical Significance 0.1461 Supporting Reference Compounds 1538 E-value 1137.69
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.384 Statistical Significance 0.0123 Supporting Reference Compounds 201 E-value 95.8324
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.384 Statistical Significance 0.1209 Supporting Reference Compounds 1245 E-value 941.275
Click to view 3D structure	Glucocorticoid receptor	P06537	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.384 Statistical Significance 6.00e-04 Supporting Reference Compounds 10 E-value 4.67095
Click to view 3D structure	Glucocorticoid receptor	P06536	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.297 Applicability Domain 0.384 Statistical Significance 0.0012 Supporting Reference Compounds 26 E-value 9.18621
Click to view 3D structure	Cytochrome P450 2C8	P10632	Humans	Predicted (SEA)	Prediction Confidence Score 0.29 Applicability Domain 0.384 Statistical Significance 0.025 Supporting Reference Compounds 305 E-value 194.857
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.306 Statistical Significance 0.0027 Supporting Reference Compounds 21 E-value 21.175
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.384 Statistical Significance 0.0199 Supporting Reference Compounds 174 E-value 155.076
Click to view 3D structure	Bile salt export pump	O95342	Humans	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.384 Statistical Significance 0.0118 Supporting Reference Compounds 104 E-value 91.7064
Click to view 3D structure	Androgen receptor	P19091	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.286 Low confidence Statistical Significance 0.0029 Supporting Reference Compounds 19 E-value 22.9655
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.323 Statistical Significance 0.1602 Supporting Reference Compounds 593 E-value 1246.83
Click to view 3D structure	Steroid 17-alpha-hydroxylase/17,20 lyase	P05093	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.29 Low confidence Statistical Significance 0.0069 Supporting Reference Compounds 69 E-value 53.716
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.288 Low confidence Statistical Significance 0.0267 Supporting Reference Compounds 127 E-value 207.624
Click to view 3D structure	3-oxo-5-alpha-steroid 4-dehydrogenase 1	P18405	Humans	Predicted (SEA)	Prediction Confidence Score 0.254 Applicability Domain 0.29 Low confidence Statistical Significance 0.0016 Supporting Reference Compounds 14 E-value 12.6894
Click to view 3D structure	3-oxo-5-alpha-steroid 4-dehydrogenase 2	P31213	Humans	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.265 Low confidence Statistical Significance 0.0022 Supporting Reference Compounds 19 E-value 17.5161
Click to view 3D structure	Glucocorticoid receptor	A0A8C0QLS2	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.384 Statistical Significance 3.10e-04 Supporting Reference Compounds 3 E-value 2.41333