ULIPRISTAL ACETATE

Search structure
Trade Names:
Synonyms:
Status: Approved (2010)
Entry Type: Small molecule
Molecule Category: Parent
UNII: YF7V70N02B
Parent Compound: ULIPRISTAL

Structure
InChI Key OOLLAFOLCSJHRE-ZHAKMVSLSA-N
Smile 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
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 63.68
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 35.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Progesterone receptor modulator FDA
Primary Target
Progesterone receptor
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 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leiomyoma 3 D007889 ClinicalTrials
Hemorrhage 3 D006470 ClinicalTrials
Leiomyoma 3 D007889 ClinicalTrials
Depressive Disorder 2 D003866 ClinicalTrials
Premenstrual Syndrome 2 D011293 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Charcot-Marie-Tooth Disease 2 D002607 ClinicalTrials
Menopause 2 D008593 ClinicalTrials
Adenomyosis 2 D062788 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Pregnancy, puerperium and perinatal conditions
16.81
Reproductive system and breast disorders
16.01
Vascular disorders
11.45
General disorders and administration site conditions
6.23
Gastrointestinal disorders
6.16
Nervous system disorders
6.16
Injury, poisoning and procedural complications
5.83
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
5.29
Psychiatric disorders
3.55
Musculoskeletal and connective tissue disorders
3.01
Cardiac disorders
2.68
Endocrine disorders
2.14
Respiratory, thoracic and mediastinal disorders
2.14

Cross References

Resources Reference
ChEBI 71025
ChEMBL CHEMBL260538
DrugCentral 4166
EPA CompTox DTXSID30155294
FDA SRS YF7V70N02B
Guide to Pharmacology 7460
KEGG D09687
PDB 2S0
PubChem 130904
SureChEMBL SCHEMBL544957
ZINC ZINC000003920657
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