ulipristal acetate

Ligand id: 7460

Name: ulipristal acetate

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 63.68
Molecular weight 475.27
XLogP 4.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Natural product or derivative
Approved drug? Yes (source: EMA (2009), FDA (2010))
IUPAC Name
[(8S,11R,13S,14S,17R)-17-acetyl-11-(4-dimethylaminophenyl)-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] acetate
International Nonproprietary Names
INN number INN
8367 ulipristal
Synonyms
CDB-2914 | EllaOne® | VA2914
Database Links
CAS Registry No. 126784-99-4
ChEBI CHEBI:71025
ChEMBL Ligand CHEMBL260538
PubChem CID 130904
RCSB PDB Ligand 2S0
Search Google for chemical match using the InChIKey OOLLAFOLCSJHRE-ZHAKMVSLSA-N
Search Google for chemicals with the same backbone OOLLAFOLCSJHRE
Search PubMed clinical trials ulipristal
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Search UniChem for chemical match using the InChIKey OOLLAFOLCSJHRE-ZHAKMVSLSA-N
Search UniChem for chemicals with the same backbone OOLLAFOLCSJHRE
SynPHARM 79767 (in complex with Progesterone receptor)
79768 (in complex with Progesterone receptor)
Wikipedia Ulipristal acetate
Comments
Ulipristal acetate is a selective progesterone receptor modulator (SPRM) contained in certain emergency contraceptives.