EXM

(8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	(8alpha,10alpha,13alpha)-6-methylideneandrosta-1,4-diene-3,17-dione
Synonyms	Exemestane; aromasin
Identifiers	(8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
Formula	C₂₀ H₂₄ O₂
Molecular Weight	296.403
Type	NON-POLYMER
Isomeric SMILES	C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C
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

Chemical Details
Formal Charge	0
Atom Count	46
Chiral Atom Count	5
Bond Count	49
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB00990
Name	Exemestane
Groups	approved investigational
Description	Exemestane is an oral steroidal aromatase inhibitor used in the adjuvant treatment of hormonally-responsive (also called hormone-receptor-positive, estrogen-responsive) breast cancer in postmenopausal women. It irreversibly binds to the active site of the enzyme resulting in permanent inhibition.
Synonyms	Exemestano Exemestane Exemestanum 6-methyleneandrosta-1,4-diene-3,17-dione
Brand Names	Mylan-exemestane Apo-exemestane Exemestane Act Exemestane Teva-exemestane Aromasin Med-exemestane Gd-exemestane
Indication	For the treatment of advanced breast cancer in postmenopausal women whose disease has progressed following tamoxifen therapy.
Categories	Androstanes Androstenes Antineoplastic Agents Antineoplastic and Immunomodulating Agents Aromatase Inhibitors Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 Substrates Endocrine Therapy Enzyme Inhibitors Estrogen Antagonists Fused-Ring Compounds Hormone Antagonists Hormone Antagonists and Related Agents Hormones, Hormone Substitutes, and Hormone Antagonists Steroid Synthesis Inhibitors Steroids
ATC-Code	L02BG06
CAS number	107868-30-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Cytochrome P450 19A1	MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGP...	unknown	inhibitor
Cytochrome P450 19A1	MVLEMLNPIHYNITSIVPEAMPAATMPVLLLTGLFLLVWNYEGTSSIPGP...	unknown	inhibitor
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682