testosterone   

GtoPdb Ligand ID: 2858

Synonyms: Androderm® | Delatestryl®
testosterone is an approved drug (FDA (1953))
Comment: Testosterone is the principal male sex hormone and an anabolic steroid.
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: testosterone

2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 288.21
XLogP 3.63
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C1CCC2(C(=C1)CCC1C2CCC2(C1CCC2O)C)C
Isomeric SMILES O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2O)C)C
InChI InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h11,14-17,21H,3-10H2,1-2H3/t14-,15-,16-,17-,18-,19-/m0/s1
InChI Key MUMGGOZAMZWBJJ-DYKIIFRCSA-N
References
1. Bhatnagar AS, Häusler A, Schieweck K, Lang M, Bowman R. (1990)
Highly selective inhibition of estrogen biosynthesis by CGS 20267, a new non-steroidal aromatase inhibitor.
J. Steroid Biochem. Mol. Biol., 37 (6): 1021-7. [PMID:2149502]
2. Fang H, Tong W, Branham WS, Moland CL, Dial SL, Hong H, Xie Q, Perkins R, Owens W, Sheehan DM. (2003)
Study of 202 natural, synthetic, and environmental chemicals for binding to the androgen receptor.
Chem. Res. Toxicol., 16 (10): 1338-58. [PMID:14565775]
3. Plourde PV, Dyroff M, Dukes M. (1994)
Arimidex: a potent and selective fourth-generation aromatase inhibitor.
Breast Cancer Res. Treat., 30 (1): 103-11. [PMID:7949201]