ULIPRISTAL ACETATE

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Trade Names
Synonyms
Status
Molecule Category Free-form
UNII YF7V70N02B
EPA CompTox DTXSID30155294
Parent Compound: ULIPRISTAL

Structure

InChI Key OOLLAFOLCSJHRE-ZHAKMVSLSA-N
Smiles CC(=O)O[C@]1(C(C)=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/C30H37NO4/c1-18(32)30(35-19(2)33)15-14-27-25-12-8-21-16-23(34)11-13-24(21)28(25)26(17-29(27,30)3)20-6-9-22(10-7-20)31(4)5/h6-7,9-10,16,25-27H,8,11-15,17H2,1-5H3/t25-,26+,27-,29-,30-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C30H37NO4
Molecular Weight 475.63
AlogP 5.54
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 4.0
Polar Surface Area 63.68
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 35.0

Pharmacology

Mechanism of Action Action Reference
Progesterone receptor modulator MODULATOR FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
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
- 0.2 - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 0.2 - - -

Target Conservation

Protein: Progesterone receptor
Description: Progesterone receptor
Organism : Homo sapiens
P06401 ENSG00000082175

Cross References

Resources Reference
ChEBI 71025
ChEMBL CHEMBL260538
DrugCentral 4166
FDA SRS YF7V70N02B
Guide to Pharmacology 7460
KEGG D09687
PDB 2S0
PubChem 130904
SureChEMBL SCHEMBL544957
ZINC ZINC000003920657
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