Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: IN59K53GI9

Structure

InChI Key JUFWQQVHQFDUOD-ANRPBIDPSA-N
Smile C[C@]12C[C@H](c3ccc(S(C)(=O)=O)cc3)C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(O)C(F)(F)C(F)(F)F
InChI
InChI=1S/C27H29F5O4S/c1-24-14-21(15-3-7-18(8-4-15)37(2,35)36)23-19-10-6-17(33)13-16(19)5-9-20(23)22(24)11-12-25(24,34)26(28,29)27(30,31)32/h3-4,7-8,13,20-22,34H,5-6,9-12,14H2,1-2H3/t20-,21+,22-,24-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H29F5O4S
Molecular Weight 544.58
AlogP 5.92
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 71.44
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 37.0

Pharmacology

Action Mechanism of Action Reference
MODULATOR Progesterone receptor modulator PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Leiomyoma 3 D007889 ClinicalTrials
Leiomyoma 3 D007889 ClinicalTrials
Endometriosis 2 D004715 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL3989936
DrugBank DB11971
FDA SRS IN59K53GI9
PubChem 50915138
SureChEMBL SCHEMBL2121854