General
Preferred name
EXEMESTANE
Synonyms
FCE 24304 ()
EXE ()
Aromasin,FCE24304, PNU155971,EXE ()
Exemestane (FCE 24304) ()
ExemestaneAromasinPNU 1559716-Methylenandrosta-1,4-diene-3,17-dioneFCE-24304 ()
Exemestano ()
PNU-155971 ()
FCE-24304 ()
NSC-758907 ()
Aromasin ()
FCE24304 ()
P&D ID
PD003000
CAS
107868-30-4
Tags
available
drug
Approved by
FDA
First approval
1999
Drug indication
breast carcinoma
Hormonally-responsive breast cancer
Drug Status
approved
investigational
Max Phase
4.0
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
MOA
Breast cancer cell growth may be estrogen-dependent. Aromatase (exemestane) is the principal enzyme that converts androgens to estrogens both in pre- and postmenopausal women. While the main source of estrogen (primarily estradiol) is the ovary in premenopausal women, the principal source of circulating estrogens in postmenopausal women is from conversion of adrenal and ovarian androgens (androstenedione and testosterone) to estrogens (estrone and estradiol) by the aromatase enzyme in peripheral tissues. Estrogen deprivation through aromatase inhibition is an effective and selective treatment for some postmenopausal patients with hormone-dependent breast cancer. Exemestane is an irreversible, steroidal aromatase inactivator, structurally related to the natural substrate androstenedione. It irreversibly binds to the active site causing permanent inhibition necessitating de novo synthesis to restore enzymatic function. Exemestane significantly lowers circulating estrogen concentrations in postmenopausal women, but has no detectable effect on the adrenal biosynthesis of corticosteroids or aldosterone. This reduction in serum and tumor concentrations of estrogen delays tumor growth and disease progression. Exemestane has no effect on other enzymes involved in the steroidogenic pathway up to a concentration at least 600 times higher than that inhibiting the aromatase enzyme.
DESCRIPTION
Exemestane (FCE 24304) is a selective, irreversible and orally active steroidal aromatase inhibitor with IC50s of 30 nM and 40 nM for human placental and rat ovarian aromatase, respectively. Exemestane can be used for hormone-dependent breast cancer research[1][2].
DESCRIPTION
Exemestane is a steroidal aromatase inhibitor with antiestrogenic activity.
(GtoPdb)
DESCRIPTION
Exemestane is a third generation, irreversible steroidal aromatase inhibitor, that induces aromatase degradation leading to a decrease in estrogen levels in plasma. Exemestane has been used to treat estrogen receptor-positive breast cancers.
(Enamine Bioactive Compounds)
DESCRIPTION
Steroidal aromatase (CYP19) inhibitor
(Tocriscreen Plus)
DESCRIPTION
Potent HIV-1 protease inhibitor
(Tocris Bioactive Compound Library)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Cell lines
1
Organisms
0
Compound Sets
31
AdooQ Bioactive Compound Library
Axon Medchem Screening Library
Cayman Chemical Bioactives
ChEMBL Approved Drugs
ChEMBL Drugs
Concise Guide to Pharmacology 2017/18
Concise Guide to Pharmacology 2019/20
Concise Guide to Pharmacology 2021/22
Concise Guide to Pharmacology 2023/24
Drug Repurposing Hub
DrugBank
DrugBank Approved Drugs
DrugCentral
DrugCentral Approved Drugs
DrugMAP
DrugMAP Approved Drugs
Enamine Bioactive Compounds
Guide to Pharmacology
LSP-MoA library (Laboratory of Systems Pharmacology)
Mcule NIBR MoA Box Subset
MedChem Express Bioactive Compound Library
NCATS Inxight Approved Drugs
NIH Approved Oncology Drugs
NIH Clinical Collections (NCC)
Novartis Chemogenetic Library (NIBR MoA Box)
NPC Screening Collection
Prestwick Chemical Library
ReFrame library
Selleckchem Bioactive Compound Library
Tocris Bioactive Compound Library
Tocriscreen Plus
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
42
Molecular Weight
296.18
Hydrogen Bond Acceptors
2
Hydrogen Bond Donors
0
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
0
cLogP
4.03
TPSA
34.14
Fraction CSP3
0.6
Chiral centers
5.0
Largest ring
6.0
QED
0.68
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target Type
Enzymes
Primary Target
Cytochrome P450
MOA
Inhibitor
Aromatase Inhibitors
Aromatase inhibitor
Member status
virtual
Indication
breast cancer
Target
CYP19A1
Aromatase
Therapeutic Class
Anticancer Agents
Pathway
Metabolic Enzyme/Protease
Source data
