CHEBI:4953 - exemestane

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ChEBI Name exemestane
ChEBI ID CHEBI:4953
Definition A 17-oxo steroid that is androsta-1,4-diene-3,17-dione in which the hydrogens at position 6 are replaced by a double bond to a methylene group. A selective inhibitor of the aromatase (oestrogen synthase) system, it is used in the treatment of advanced breast cancer.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB5760314, eMolecules:2726151, Selleckchem:Exemestane, ZINC000003973334
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Exemestane, sold under the brand name Aromasin among others, is a medication used to treat breast cancer. It is a member of the class of antiestrogens known as aromatase inhibitors. Some breast cancers require estrogen to grow. Those cancers have estrogen receptors (ERs), and are called ER-positive. They may also be called estrogen-responsive, hormonally-responsive, or hormone-receptor-positive. Aromatase is an enzyme that synthesizes estrogen. Aromatase inhibitors block the synthesis of estrogen. This lowers the estrogen level, and slows the growth of cancers.
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Formula C20H24O2
Net Charge 0
Average Mass 296.40340
Monoisotopic Mass 296.17763
InChI 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
InChIKey BFYIZQONLCFLEV-DAELLWKTSA-N
SMILES [H][C@@]12CC(=C)C3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=O)CC[C@@]21[H]
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): EC 1.14.14.14 (aromatase) inhibitor
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.
xenobiotic
A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
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ChEBI Ontology
Outgoing exemestane (CHEBI:4953) has parent hydride androstane (CHEBI:35509)
exemestane (CHEBI:4953) has role antineoplastic agent (CHEBI:35610)
exemestane (CHEBI:4953) has role EC 1.14.14.14 (aromatase) inhibitor (CHEBI:50790)
exemestane (CHEBI:4953) has role environmental contaminant (CHEBI:78298)
exemestane (CHEBI:4953) has role xenobiotic (CHEBI:35703)
exemestane (CHEBI:4953) is a 17-oxo steroid (CHEBI:19168)
exemestane (CHEBI:4953) is a 3-oxo-Δ1,Δ4-steroid (CHEBI:77166)
IUPAC Name
6-methylideneandrosta-1,4-diene-3,17-dione
INNs Sources
exemestane ChemIDplus
exemestano ChemIDplus
exemestanum ChemIDplus
Synonyms Sources
6-methyleneandrosta-1,4-diene-3,17-dione ChemIDplus
Exemestane KEGG COMPOUND
Manual Xrefs Databases
1122 DrugCentral
C08162 KEGG COMPOUND
D00963 KEGG DRUG
DB00990 DrugBank
Exemestane Wikipedia
View more database links
Registry Numbers Types Sources
107868-30-4 CAS Registry Number KEGG COMPOUND
107868-30-4 CAS Registry Number ChemIDplus
6609645 Reaxys Registry Number Reaxys
Citation Waiting for Citations
Last Modified
22 February 2017
General Comment
2014-10-29 Stravs M, Schymanski E, Singer H, Department of Environmental Chemistry, Eawag