MIFEPRISTONE

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC G03XB01
UNII 320T6RNW1F
EPA CompTox DTXSID5023322

Structure

InChI Key VKHAHZOOUSRJNA-GCNJZUOMSA-N
Smiles CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C29H35NO2
Molecular Weight 429.6
AlogP 5.41
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 40.54
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Mechanism of Action Action Reference
Glucocorticoid receptor antagonist ANTAGONIST PubMed DailyMed
Progesterone receptor antagonist ANTAGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Transferase
- - - - 101
Other nuclear protein
0.7 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 1
- - - - 44-50
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group A Nuclear hormone receptor subfamily 3 group A member 2
- 812 - - 92
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
0.6-872 0.008-410 15 0.09-169 77-100
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 2
- 590-590 - 640-851 69.7-96
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 3
0.3-15.85 0.021-10 - 0.2512-15 98-100
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 4
10-11.9 1-89 - 0.65-22 95
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 70.7-81.2
Unclassified protein
- 20.2-32.6 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Canis lupus familiaris
- 20.2-32.6 - - -
Herpes simplex virus (type 1 / strain 17)
0.7 - - - -
Homo sapiens
0.6-872 0.021-900 15 0.09-851 44-104
Macaca mulatta
- 13.9-21.9 - - -
Mesocricetus auratus
- - - - 43
Mus musculus
- 2.2 - - 23
Oryctolagus cuniculus
- 0.3 - - -
Rattus norvegicus
2.512 1.4-410 - - 77-104
Sus scrofa
- 10.9-19.7 - - -

Target Conservation

Protein: Glucocorticoid receptor
Description: Glucocorticoid receptor
Organism : Homo sapiens
P04150 ENSG00000113580
Protein: Progesterone receptor
Description: Progesterone receptor
Organism : Homo sapiens
P06401 ENSG00000082175

Related Entries

Cross References

Resources Reference
CAS NUMBER 84371-65-3
ChEBI 50692
ChEMBL CHEMBL1276308
DrugBank DB00834
DrugCentral 1805
FDA SRS 320T6RNW1F
Human Metabolome Database HMDB0014972
Guide to Pharmacology 2805
KEGG C07652
PDB 486
PharmGKB PA450500
PubChem 55245
SureChEMBL SCHEMBL16087
ZINC ZINC000003831128
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