mifepristone   Click here for help

GtoPdb Ligand ID: 2805

Synonyms: Mifeprex® | RU-486 | RU486
Approved drug PDB Ligand Immunopharmacology Ligand
mifepristone is an approved drug (FDA (2000))
Compound class: Synthetic organic
Comment: An antagonist of both the glucocorticoid receptor and the progesterone receptor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 40.54
Molecular weight 429.27
XLogP 4.66
No. Lipinski's rules broken 0
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Canonical SMILES CC#CC1(O)CCC2C1(C)CC(c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CCC21
Isomeric SMILES CC#C[C@]1(O)CC[C@@H]2[C@]1(C)C[C@H](c1ccc(cc1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@H]21
InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2000))
WHO Essential Medicine WHO Essential Medicines List (EML) (23rd List, 2023). Access PDF version.
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IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
5752 mifepristone
Synonyms Click here for help
Mifeprex® | RU-486 | RU486
Database Links Click here for help
BindingDB Ligand 18627
CAS Registry No. 84371-65-3 (source: Scifinder)
ChEMBL Ligand CHEMBL1276308
DrugBank Ligand DB00834
DrugCentral Ligand 1805
GtoPdb PubChem SID 135650608
PubChem CID 55245
RCSB PDB Ligand 486
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UniChem Compound Search for chemical match using the InChIKey VKHAHZOOUSRJNA-GCNJZUOMSA-N
UniChem Connectivity Search for chemical match using the InChIKey VKHAHZOOUSRJNA-GCNJZUOMSA-N
Wikipedia Mifepristone

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Mifepristone (links to external site)
Cat. No. 1479