Structure

InChI Key PDMMFKSKQVNJMI-BLQWBTBKSA-N
Smile CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
InChI
InChI=1S/C22H32O3/c1-4-20(24)25-19-8-7-17-16-6-5-14-13-15(23)9-11-21(14,2)18(16)10-12-22(17,19)3/h13,16-19H,4-12H2,1-3H3/t16-,17-,18-,19-,21-,22-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H32O3
Molecular Weight 344.5
AlogP 4.84
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 43.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 25.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Androgen Receptor agonist PubMed PubMed PubMed PubMed PubMed PubMed
Primary Target
Androgen receptor

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrophic Vaginitis 1 D059268 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
18.02
Injury, poisoning and procedural complications
16.86
Product issues
10.47
Psychiatric disorders
8.72
Cardiac disorders
6.98
Nervous system disorders
5.81
Vascular disorders
4.65
Gastrointestinal disorders
4.07
Investigations
3.49
Metabolism and nutrition disorders
3.49
Respiratory, thoracic and mediastinal disorders
3.49
Reproductive system and breast disorders
2.91
Skin and subcutaneous tissue disorders
2.91
Immune system disorders
2.33

Cross References

Resources Reference
CAS NUMBER 57-85-2
ChEBI 9466
ChEMBL CHEMBL1170
DrugBank DB01420
DrugCentral 4146
EPA CompTox DTXSID9036515
FDA SRS WI93Z9138A
Human Metabolome Database HMDB0015489
Guide to Pharmacology 7100
KEGG C08158
PharmGKB PA164751373
PubChem 5995
SureChEMBL SCHEMBL4044
ZINC ZINC000000490791