EXEMESTANE

Search structure
Synonyms:
Status: Approved (1999)
Entry Type: Small molecule
Molecule Category: Parent
ATC: L02BG06
UNII: NY22HMQ4BX

Structure
InChI Key BFYIZQONLCFLEV-DAELLWKTSA-N
Smile C=C1C[C@@H]2[C@H](CC[C@]3(C)C(=O)CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H24O2
Molecular Weight 296.41
AlogP 4.03
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 34.14
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Cytochrome P450 19A1 inhibitor DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 19 Cytochrome P450 family 19A Cytochrome P450 19A1
- 43-900 - 10-26 95-100
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- - - - 45-95
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 90000 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Breast Neoplasms 4 D001943 ClinicalTrials
Breast Neoplasms 4 D001943 ClinicalTrials
Neoplasms 4 D009369 ClinicalTrials
Breast Neoplasms, Male 3 D018567 ClinicalTrials
Carcinoma, Intraductal, Noninfiltrating 3 D002285 ClinicalTrials
Endometrial Neoplasms 2 D016889 ClinicalTrials
Breast Carcinoma In Situ 2 D000071960 ClinicalTrials
Carcinoma, Non-Small-Cell Lung 2 D002289 ClinicalTrials
Ovarian Neoplasms 2 D010051 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Lymphoma 1 D008223 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 4953
ChEMBL CHEMBL1200374
DrugBank DB00990
DrugCentral 1122
EPA CompTox DTXSID5023037
FDA SRS NY22HMQ4BX
Human Metabolome Database HMDB0015125
Guide to Pharmacology 7073
PDB EXM
PharmGKB PA449563
SureChEMBL SCHEMBL6215
ZINC ZINC000003973334
CONTENTS