Structure

InChI Key JGMOKGBVKVMRFX-HQZYFCCVSA-N
Smile CC(=O)[C@H]1CC[C@H]2[C@@H]3C=CC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C
InChI
InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4-5,12,16-19H,6-11H2,1-3H3/t16-,17+,18-,19+,20+,21+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H28O2
Molecular Weight 312.45
AlogP 4.5
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 34.14
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Progesterone receptor agonist PubMed PubMed PubMed
Primary Target
Progesterone receptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Infertility 3 D007246 ClinicalTrials
Pregnancy 3 D011247 ClinicalTrials
Premature Birth 3 D047928 ClinicalTrials
Menopause 3 D008593 ClinicalTrials
Infertility, Female 3 D007247 ClinicalTrials
Abortion, Habitual 3 D000026 ClinicalTrials
Endometrial Hyperplasia 2 D004714 ClinicalTrials
Ovarian Cysts 0 D010048 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 152-62-5
ChEBI 31527
ChEMBL CHEMBL1200853
DrugBank DB00378
DrugCentral 975
EPA CompTox DTXSID1022974
FDA SRS 90I02KLE8K
Human Metabolome Database HMDB0014522
Guide to Pharmacology 2878
PharmGKB PA164745443
PubChem 9051
SureChEMBL SCHEMBL37703
ZINC ZINC000003875998