mifepristone

Ligand Id: 2805
Ligand name mifepristone

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 40.54
Molecular weight 429.27
XLogP 4.91
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Synthetic organic
Approved drug? Yes (source: FDA (2000))
DrugBank groups approved
IUPAC Name
(8S,11R,13S,14S,17S)-11-(4-dimethylaminophenyl)-17-hydroxy-13-methyl-17-prop-1-ynyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
International Nonproprietary Names
INN number INN
5752 mifepristone
Synonyms
RU-486
RU486
Database Links
BindingDB Ligand 18627
CAS Registry No. 84371-65-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1276308
DrugBank Ligand DB00834
NURSA Ligand li57
PubChem CID 55245
RCSB PDB Ligand 486
Search Google for chemical match using the InChIKey VKHAHZOOUSRJNA-GCNJZUOMSA-N
Search Google for chemicals with the same backbone VKHAHZOOUSRJNA
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Wikipedia Mifepristone
ZINC ZINC03831128
Comments
An antagonist of both the glucocorticoid receptor and the progesterone receptor.