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.
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2D Structure
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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
Bioactivity Comments
Despite testosterone being an endogenous ligand, we have been unable to find molecular affinity data at the human androgen receptor.
Natural/Endogenous Targets
Target
Androgen receptor
Selectivity at nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Androgen receptor Rn Agonist Agonist 7.8 pIC50 - 2
pIC50 7.8 [2]
Additional information and targets (data relate to human unless otherwise stated)
Description Data Reference
Targets where the ligand is described in the comment field
Target Comment
Ligand mentioned in the following text fields