Structure

InChI Key HPFVBGJFAYZEBE-ZLQWOROUSA-N
Smile C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1
InChI
InChI=1S/C27H40O3/c1-26-15-13-20(28)17-19(26)8-9-21-22-10-11-24(27(22,2)16-14-23(21)26)30-25(29)12-7-18-5-3-4-6-18/h17-18,21-24H,3-16H2,1-2H3/t21-,22-,23-,24-,26-,27-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H40O3
Molecular Weight 412.61
AlogP 6.4
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 4.0
Polar Surface Area 43.37
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 30.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Androgen Receptor agonist DailyMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Prostatic Neoplasms 2 D011471 ClinicalTrials
Prostatic Neoplasms 2 D011471 ClinicalTrials
Prostatic Neoplasms, Castration-Resistant 2 D064129 ClinicalTrials
Diabetic Neuropathies 2 D003929 ClinicalTrials
Sexual Dysfunction, Physiological 1 D012735 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Vascular disorders
28.49
Cardiac disorders
17.73
Nervous system disorders
13.22
General disorders and administration site conditions
9.29
Psychiatric disorders
6.02
Respiratory, thoracic and mediastinal disorders
6.0
Injury, poisoning and procedural complications
3.6
Musculoskeletal and connective tissue disorders
2.58
Investigations
2.14

Cross References

Resources Reference
CAS NUMBER 58-20-8
ChEBI 9463
ChEMBL CHEMBL1201101
DrugBank DB13943
DrugCentral 4454
FDA SRS M0XW1UBI14
KEGG C08156
PubChem 441404
SureChEMBL SCHEMBL40862
ZINC ZINC000004097468