Exemestane (CED0003211)

Record Information

Version

1.0

Creation Date

2016-05-22 03:41:01 UTC

Update Date

2026-05-14 16:55:08 UTC

SynCED ID

CED0003211

Secondary Accession Numbers

CHEM016704

Identification

Common Name

Exemestane

Class

Small Molecule

Description

Exemestane is an organic compound with the chemical formula C20H24O2 and an average molecular weight of 296.40 g/mol. Exemestane belongs to the androstane steroids, a subclass of steroids and steroid derivatives within the organic compounds. It is categorized under the superclass of lipids and lipid-like molecules. Regarding its biological activity, exemestane acts as an inhibitor of the protein target Aromatase (CYP19A1). The compound is recorded as being found in or released from seven different sources. These include healthcare, pharmaceuticals, and veterinary products, specifically as hormone antagonists and related agents. It is also associated with household cleaning and consumer products, such as non electric simulated smoking devices. Additionally, it is found in electrical and electronic equipment, including radio transmission systems, television systems, line transmission systems, electrically stimulated smoking devices, and electric hearing aids. The recorded route of exposure for this compound is oral.

Contaminant Type

Human Neurotoxin

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
6-Methyleneandrosta-1,4-diene-3,17-dione	ChEBI
Exemestano	ChEBI
Exemestanum	ChEBI
Aromasin	Kegg
Examestane	HMDB
Aromasine	HMDB
Aromasil	HMDB

Chemical Formula

C₂₀H₂₄O₂

Average Molecular Mass

296.403 g/mol

Monoisotopic Mass

296.178 g/mol

CAS Registry Number

107868-30-4

IUPAC Name

(1S,2R,10R,11S,15S)-2,15-dimethyl-8-methylidenetetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,6-diene-5,14-dione

Traditional Name

exemestane

SMILES

[H][C@@]12CCC(=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC(=C)C2=CC(=O)C=C[C@]12C

InChI Identifier

InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3/t14-,15-,16-,19+,20-/m0/s1

InChI Key

BFYIZQONLCFLEV-DAELLWKTSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as androgens and derivatives. These are 3-hydroxylated C19 steroid hormones. They are known to favor the development of masculine characteristics. They also show profound effects on scalp and body hair in humans.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Steroids and steroid derivatives

Sub Class

Androstane steroids

Direct Parent

Androgens and derivatives

Alternative Parents

Substituents

Androgen-skeleton
Oxosteroid
17-oxosteroid
3-oxosteroid
3-oxo-delta-1,4-steroid
Delta-1,4-steroid
Cyclic ketone
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

17-oxo steroid (CHEBI:4953 )
3-oxo-Delta(1),Delta(4)-steroid (CHEBI:4953 )

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

EC 1.14.14.14 (aromatase) inhibitor (PMC5399631 , PMC12722357 )?An EC 1.14.14.* (oxidoreductase acting on paired donors, incorporating of 1 atom of oxygen, with reduced flavin or flavoprotein as one donor) inhibitor which interferes with the action of aromatase (EC 1.14.14.14) and so reduces production of estrogenic steroid hormones.

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

Property	Value	Source
Water Solubility	0.0068 g/L	ALOGPS
logP	2.67	ALOGPS
logP	3.87	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	19.96	ChemAxon
pKa (Strongest Basic)	-5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	34.14 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	89.03 m³·mol⁻¹	ChemAxon
Polarizability	33.71 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted GC-MS	Predicted GC-MS Spectrum	splash10-0gc0-0490000000-1b1c46e80815c179a447	Not Available	View Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum	Not Available	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0790000000-46727c37da42caccba4f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0790000000-46727c37da42caccba4f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0790000000-46727c37da42caccba4f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0790000000-46727c37da42caccba4f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0790000000-46727c37da42caccba4f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0790000000-46727c37da42caccba4f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0790000000-46727c37da42caccba4f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0790000000-46727c37da42caccba4f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0790000000-46727c37da42caccba4f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0190000000-5e04b3359ea2370bbde1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0950000000-0daf2c711395130c78a2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006t-0910000000-58ddee06caa2cdb4eeac	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006t-0910000000-64dd2bfc1eef30f5b766	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00wa-0900000000-ec533e47176e668d1ee9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0980000000-457e7fb9bd5073d9521a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0090000000-cc584f39a06f24401467	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-1960000000-22b6bd7c2ccea9c0c648	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00dj-2910000000-32edf95f8027c36c74ce	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-05fu-3900000000-84dacb108ccc2572ab41	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0596-5900000000-f4ef5b1c0c3093d9be81	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-054o-7900000000-d4fd55a1386141770feb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0090000000-d372ca664e7a339d245e	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-1970000000-6aca0caa93beac3bf271	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006w-2910000000-2f4bac4fb8744faeb793	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-05fu-3900000000-93e6d94ff92391e3ae17	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0596-4900000000-3888c20b2af766bfbd28	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-054o-7900000000-e5ae5c87edd46bea9bdf	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0890000000-43dff5a59fc535cf2f01	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0790000000-46727c37da42caccba4f	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00dj-0910000000-1483760a934897cf3b7a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-014i-0009000000-0a3cc4550e16db4e3b05	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0090000000-8292cd5caa67529123d5	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0290000000-3017fa06837d687a9ed9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006t-0930000000-70c14a429cc679c17e57	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-1890000000-1fcf62ddeb8dd8441390	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006t-0910000000-58ddee06caa2cdb4eeac	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0940000000-6c23a900f9cc083fe163	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006t-0910000000-0ffb2fbcedc8c55b49fd	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-054o-7900000000-d4fd55a1386141770feb	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0090000000-63cd11523cd7f6242eaa	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0950000000-dda5ba23c5e493668321	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0596-4900000000-3888c20b2af766bfbd28	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-05fu-3900000000-93e6d94ff92391e3ae17	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-1970000000-2a2a44a3f85989011411	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006w-2910000000-2f4bac4fb8744faeb793	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0890000000-f54ba85229414a2d79e6	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-054o-7900000000-e5ae5c87edd46bea9bdf	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0950000000-0b432ca978dc4a9dfcd1	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-1960000000-a6c1be5883356433a8b2	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00dj-2910000000-32edf95f8027c36c74ce	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0090000000-41034e433da33c29df44	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0920000000-e65fdde7739a4cb3be9b	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0596-5900000000-f4ef5b1c0c3093d9be81	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-05fu-3900000000-84dacb108ccc2572ab41	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006t-0910000000-bdf904164e8936dcc6ab	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-2950000000-d5499ec62df1d0c1935a	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-004i-0890000000-895e270252f4586f6519	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0090000000-52cdccd7568c606c3f51	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-0090000000-45e7aaecdfc92ecadf62	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00wa-0900000000-d9c2bcf0a590ae88cc21	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-00wa-0900000000-ec533e47176e668d1ee9	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-006t-0910000000-64dd2bfc1eef30f5b766	Not Available	View Spectrum
LC-MS/MS	LC-MS/MS Spectrum	splash10-0002-1920000000-450fd45169f9941e6956	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-f8aaffa2c09a551a7d69	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-002b-0290000000-dc2ea5e87de49e0a95f8	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0udi-2490000000-6bcc7507771cadb1be82	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-cc26a78111c90014bbc4	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-6c59d18db75b7bfa2b7f	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00ou-2090000000-0dafb14d21bf327e27c5	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-d230ddcade957c9bf7cc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00ba-0690000000-0596260f77c4d22b808b	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-106r-3940000000-90d32c1386dd6935b307	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-ebc6f53e480399549577	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0002-0090000000-6eb7d0393bf5994e6857	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-046u-0290000000-5e58cbe7f6863cc772af	Not Available	View Spectrum

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
3940.0 Log mg/kg [2200:7000]	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
cancer	Not Available	Not Available	Cancer is a group of diseases involving abnormal cell growth with the potential to invade or spread to other parts of the body. Possible signs and symptoms include a lump, abnormal bleeding, prolonged cough, unexplained weight loss, and a change in bowel movements. There are over 100 types of cancers affect humans. The risk of developing certain cancers can be reduced by not smoking, maintaining a healthy weight, not drinking too much alcohol, eating plenty of vegetables, fruits and whole grains, vaccination against certain infectious diseases, not eating too much processed and red meat and avoiding too much sunlight exposure. Cancer is often treated with some combination of radiation therapy, surgery, chemotherapy and targeted therapy. The majority of cancers, some 90–95% of cases, are due to genetic mutations from environmental and lifestyle factors. The remaining 5–10% are due to inherited genetics.	PMC12036885
breast cancer	Not Available	Not Available	A breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)	PMC4723356 , PMC5399631
breast cancer	Has Therapeutic Effect On	Not Available	A breast cancer that has material basis in abnormally proliferating cells derives from epithelial cells. (DO)	PMC13009193

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000360	Hormone antagonists and related agents?Hormone antagonists and related agents are synthetic chemicals that inhibit the action of specific hormones in the body.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000516	Electric Hearing Aids?Electric hearing aids are small electronic devices designed to amplify sound for individuals with hearing loss.	Electrical & Electronic Equipment	PubChem
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
CEDs000525	Line Transmission Systems?Line Transmission Systems, commonly used for the distribution of electrical energy, can be a source of synthetic chemical contamination through the insulation materials and coatings utilized in their construction.	Electrical & Electronic Equipment	PubChem
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000537	Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.	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
CEDs000559	Non Electric Simulated Smoking Devices?Non-electric simulated smoking devices, often designed to mimic the experience of smoking without combustion, can be sources of synthetic chemical contamination due to the materials and chemicals used in their construction and operation.	Household cleaning & consumer products	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
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
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000650	Purses Luggage Hand Bags?Purses, luggage, and handbags are often manufactured using synthetic materials such as polyvinyl chloride (PVC), polyurethane, and various types of nylon.	Textiles, leather & furnishings	PubChem
CEDs000667	Gaseous Fire Fighting?Gaseous fire fighting systems utilize synthetic chemicals, such as halocarbons and inert gases, to suppress fires through chemical and physical processes.	Fire suppression systems & agents	PubChem
CEDs000684	Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.	Building & Construction	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
CEDs000692	Silica Free Oxide Glass?Silica Free Oxide Glass is a type of glass that is produced using alternative materials to traditional silica-based formulations.	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
CEDs000730	Contact Lens Cases?Contact lens cases are small containers designed to store contact lenses in a sterile environment, typically made from various synthetic materials including plastics such as polypropylene or polycarbonate.	Healthcare, pharmaceuticals & veterinary products	PubChem
CEDs000732	Spectacle Cases?Spectacle cases can serve as a source of synthetic chemical contamination due to the materials used in their production, such as polycarbonate, PVC, and various plastics, which may leach harmful substances over time.	Healthcare, pharmaceuticals & veterinary 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
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
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	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

Pathways

1 pathwayPathway Source: PathBank

Exemestane Drug Metabolism Action Pathway

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Glucose-6-phosphate 1-dehydrogenase	Q9GRG7	Trypanosoma brucei	Predicted (SEA)	Prediction Confidence Score 0.393 Applicability Domain 0.418 Statistical Significance 2.90e-04 Supporting Reference Compounds 2 E-value 2.25763
Click to view 3D structure	Sex hormone-binding globulin	P04278	Humans	Predicted (SEA)	Prediction Confidence Score 0.391 Applicability Domain 0.442 Statistical Significance 0.0012 Supporting Reference Compounds 33 E-value 9.26406
Click to view 3D structure	Corticosteroid-binding globulin	P08185	Humans	Predicted (SEA)	Prediction Confidence Score 0.391 Applicability Domain 0.442 Statistical Significance 9.90e-04 Supporting Reference Compounds 21 E-value 7.70707
Click to view 3D structure	Aromatase	P11511	Humans	Predicted (SEA)	Prediction Confidence Score 0.381 Applicability Domain 0.442 Statistical Significance 0.0024 Supporting Reference Compounds 127 E-value 18.7617
Click to view 3D structure	Aromatase	P11511	Humans	Known	Not Available
Click to view 3D structure	G-protein coupled bile acid receptor 1	Q8TDU6	Humans	Predicted (SEA)	Prediction Confidence Score 0.368 Applicability Domain 0.418 Statistical Significance 0.003 Supporting Reference Compounds 54 E-value 23.1212
Click to view 3D structure	Androgen receptor	P15207	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.358 Applicability Domain 0.442 Statistical Significance 0.0022 Supporting Reference Compounds 73 E-value 17.3604
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.321 Applicability Domain 0.356 Statistical Significance 0.0091 Supporting Reference Compounds 201 E-value 70.9206
Click to view 3D structure	Sulfotransferase 1E1	P19217	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.313 Applicability Domain 0.313 Statistical Significance 3.70e-04 Supporting Reference Compounds 1 E-value 2.88042
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	Prediction Confidence Score 0.308 Applicability Domain 0.407 Statistical Significance 0.0039 Supporting Reference Compounds 49 E-value 30.3612
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.307 Applicability Domain 0.356 Statistical Significance 0.0095 Supporting Reference Compounds 174 E-value 74.2682
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	Prediction Confidence Score 0.303 Applicability Domain 0.314 Statistical Significance 0.0061 Supporting Reference Compounds 154 E-value 47.4102
Click to view 3D structure	Progesterone receptor	Q690N0	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.356 Statistical Significance 0.0021 Supporting Reference Compounds 40 E-value 16.5819
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.314 Statistical Significance 0.0087 Supporting Reference Compounds 146 E-value 68.1181
Click to view 3D structure	Progesterone receptor	P06401	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.314 Statistical Significance 0.0066 Supporting Reference Compounds 119 E-value 51.7697
Click to view 3D structure	Mineralocorticoid receptor	P08235	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.314 Statistical Significance 0.0045 Supporting Reference Compounds 74 E-value 35.3435
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 1	P14061	Humans	Predicted (SEA)	Prediction Confidence Score 0.296 Applicability Domain 0.356 Statistical Significance 0.0029 Supporting Reference Compounds 42 E-value 22.2649
Click to view 3D structure	17-beta-hydroxysteroid dehydrogenase type 3	O54939	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.442 Statistical Significance 4.60e-04 Supporting Reference Compounds 7 E-value 3.58106
Click to view 3D structure	Steryl-sulfatase	P08842	Humans	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.338 Statistical Significance 9.60e-04 Supporting Reference Compounds 14 E-value 7.47353
Click to view 3D structure	Androgen receptor	P19091	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.29 Low confidence Statistical Significance 0.0027 Supporting Reference Compounds 19 E-value 20.8636
Click to view 3D structure	Sex hormone-binding globulin	P08689	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.277 Low confidence Statistical Significance 5.50e-04 Supporting Reference Compounds 2 E-value 4.28171
Click to view 3D structure	Glucocorticoid receptor	P06536	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.314 Statistical Significance 0.0018 Supporting Reference Compounds 26 E-value 14.1686
Click to view 3D structure	Steroid 17-alpha-hydroxylase/17,20 lyase	P05093	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.269 Low confidence Statistical Significance 0.0072 Supporting Reference Compounds 69 E-value 55.8957
Click to view 3D structure	NPC1-like intracellular cholesterol transporter 1	Q9UHC9	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.418 Statistical Significance 0.0022 Supporting Reference Compounds 13 E-value 16.8933
Click to view 3D structure	Solute carrier organic anion transporter family member 1A1	P46720	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.338 Statistical Significance 0.0018 Supporting Reference Compounds 10 E-value 13.7015
Click to view 3D structure	3-oxo-5-alpha-steroid 4-dehydrogenase 2	P31213	Humans	Predicted (SEA)	Prediction Confidence Score 0.25 Applicability Domain 0.269 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 19 E-value 15.8812