e-Drug3D

795

EXEMESTANE


INN
EXEMESTANE

cas 107868-30-4
CLASS

ANTINEOPLASTIC
STEROIDAL AROMATASE INHIBITOR (PRINCIPAL ENZYME THAT CONVERTS ANDROGENS TO ESTROGENS)
THE TREATMENT OF ADVANCED BREAST CANCER IN POSTMENOPAUSAL WOMEN

ROUTE (list)

ORAL

ATC code

L02BG06

PK parameters

Tmax 2.9 HOUR
VD 20000 LITER
Cl 500 LITER / HOUR
PPB 90 PERCENT
t1/2 24 HOUR

Solubility

PRACTICALLY INSOLUBLE IN WATER


Target

TARGET CYTOCHROME P450 19A1 (AROMATASE)

PDB
3S7S (CRYSTAL STRUCTURE OF HUMAN PLACENTAL AROMATASE COMPLEXED WITH BREAST CANCER DRUG EXEMESTANE)

Ligand code = EXM (link to the list of PDB complexes)

Download experimental 3D coordinates of EXM with added hydrogens

DrugCentral

Aromatase UNIPROT P11511 CYP19A1

Download SDF file (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:
C20H24O2

Calculated chemical properties:

MW 296.39
NB_atoms 22
XLogP 4.03
PSA 35.53
NB_HD 0
NB_HA 2
fsp3 0.60
Lipinski(0=no;1=yes) 1

FDA
NDA 020753 (label) INN (EXEMESTANE) AROMASIN (PFIZER) APPROVAL= AP YEAR= 1999 NEWMOLECULARENTITY
NDA 077431 (pdf not found) INN (EXEMESTANE) EXEMESTANE (HIKMA) APPROVAL= AP YEAR= 2011
NDA 200898 (pdf not found) INN (EXEMESTANE) EXEMESTANE (ALVOGEN) APPROVAL= AP YEAR= 2014 DISCONTINUED
NDA 203315 (pdf not found) INN (EXEMESTANE) EXEMESTANE (RISING) APPROVAL= AP YEAR= 2017
NDA 209208 (pdf not found) INN (EXEMESTANE) EXEMESTANE (UPSHER SMITH LABS) APPROVAL= AP YEAR= 2017
NDA 210323 (pdf not found) INN (EXEMESTANE) EXEMESTANE (CIPLA) APPROVAL= AP YEAR= 2018
NDA 202602 (pdf not found) INN (EXEMESTANE) EXEMESTANE (ZYDUS PHARMS) APPROVAL= AP YEAR= 2018
NDA 206421 (pdf not found) INN (EXEMESTANE) EXEMESTANE (AMNEAL PHARMS) APPROVAL= AP YEAR= 2018 DISCONTINUED
NDA 211031 (pdf not found) INN (EXEMESTANE) EXEMESTANE (BRECKENRIDGE) APPROVAL= AP YEAR= 2019
NDA 208764 (pdf not found) INN (EXEMESTANE) EXEMESTANE (DR REDDYS LABS SA) APPROVAL= AP YEAR= 2019 DISCONTINUED
NDA 213547 (pdf not found) INN (EXEMESTANE) EXEMESTANE (QILU) APPROVAL= AP YEAR= 2020
NDA 216454 (pdf not found) INN (EXEMESTANE) EXEMESTANE (EUGIA PHARMA) APPROVAL= AP YEAR= 2022

Other links:

PubChem
ChemicalProbes

U.S. repository of Clinical Trials

VigiAccess
SIDER side effects

ChemSynthesis
Patent@SureChEMBL