exemestane

Ligand id: 7073

Name: exemestane

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 0
Topological polar surface area 34.14
Molecular weight 296.18
XLogP 3.82
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
Approved drug? Yes (source: FDA (1999))
IUPAC Name
(8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
International Nonproprietary Names
INN number INN
6770 exemestane
Synonyms
Aromasin® | FCE-24304
Database Links
CAS Registry No. 107868-30-4 (source: Scifinder)
ChEBI CHEBI:4953
ChEMBL Ligand CHEMBL1200374
DrugBank Ligand DB00990
PubChem CID 60198
RCSB PDB Ligand EXM
Search Google for chemical match using the InChIKey BFYIZQONLCFLEV-DAELLWKTSA-N
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Search UniChem for chemical match using the InChIKey BFYIZQONLCFLEV-DAELLWKTSA-N
Search UniChem for chemicals with the same backbone BFYIZQONLCFLEV
SynPHARM 79391 (in complex with CYP19A1)
Wikipedia Exemestane
Comments
Exemestane is a steroidal aromatase inhibitor.