Structure

InChI Key IMONTRJLAWHYGT-ZCPXKWAGSA-N
Smile C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C
InChI
InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H28O3
Molecular Weight 340.46
AlogP 4.06
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 43.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

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

Metabolites

visNetwork

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Endometriosis 4 D004715 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Breast Neoplasms 3 D001943 ClinicalTrials
Hemorrhage 3 D006470 ClinicalTrials
Pregnancy 3 D011247 ClinicalTrials
Leiomyoma 3 D007889 ClinicalTrials
Lymphoma 2 D008223 ClinicalTrials
Endometrial Hyperplasia 2 D004714 ClinicalTrials
Cystic Fibrosis 0 D003550 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture
Mixture
Mixture
Mixture
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Reproductive system and breast disorders
16.93
General disorders and administration site conditions
14.59
Vascular disorders
10.13
Gastrointestinal disorders
10.04
Nervous system disorders
8.1
Psychiatric disorders
7.25
Musculoskeletal and connective tissue disorders
5.67
Injury, poisoning and procedural complications
4.91
Skin and subcutaneous tissue disorders
4.73
Renal and urinary disorders
3.47
Investigations
3.06
Cardiac disorders
2.48
Respiratory, thoracic and mediastinal disorders
2.25

Cross References

Resources Reference
ChEBI 7628
ChEMBL CHEMBL1201146
DrugCentral 1963
EPA CompTox DTXSID4023381
FDA SRS 9S44LIC7OJ
KEGG C08152
PubChem 5832
SureChEMBL SCHEMBL37530
ZINC ZINC000001849528