Structure

InChI Key ICMWWNHDUZJFDW-DHODBPELSA-N
Smile C[C@]12C/C(=C/O)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O
InChI
InChI=1S/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3/b13-12-/t14-,15+,16-,17-,19-,20-,21-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H32O3
Molecular Weight 332.48
AlogP 4.4
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 0.0
Polar Surface Area 57.53
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 24.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Androgen Receptor agonist DailyMed Wikipedia
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 48700 - - -

Metabolites

visNetwork

Related Entries

MCS

Scaffolds

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
11.54
Investigations
11.54
Musculoskeletal and connective tissue disorders
11.54
Nervous system disorders
11.54
Injury, poisoning and procedural complications
9.62
Vascular disorders
9.62
Endocrine disorders
7.69
General disorders and administration site conditions
3.85
Metabolism and nutrition disorders
3.85
Psychiatric disorders
3.85
Renal and urinary disorders
3.85

Cross References

Resources Reference
CAS NUMBER 434-07-1
ChEMBL CHEMBL1200585
DrugBank DB06412
DrugCentral 2033
EPA CompTox DTXSID5023794
FDA SRS L76T0ZCA8K
KEGG C07393
PubChem 5281034
SureChEMBL SCHEMBL145158
ZINC ZINC000118912450