Dehydroepiandrosterone

From DrugPedia: A Wikipedia for Drug discovery

Dehydroepiandrosterone

Pubchem(5881)

A major C19 steroid produced by the ADRENAL CORTEX. It is also produced in small quantities in the TESTIS and the OVARY. Dehydroepiandrosterone (DHEA) can be converted to TESTOSTERONE; ANDROSTENEDIONE; ESTRADIOL; and ESTRONE. Most of DHEA is sulfated (DEHYDROEPIANDROSTERONE SULFATE) before secretion.

Negative modulator of GABAA receptors.

Drug Type: Small Molecule; Experimental

KEGG Pathway(C01227) Androgen and estrogen metabolism Prostate cancer

Physical Property Value Units Temp (deg C) Source

List of PDB files having estriol as a Ligand:

MMDB ID	PDB ID	Reference
15983	1E3R	Ha NC, Kim MS, Lee W, Choi KY, Oh BHDetection of large pKa perturbations of an inhibitor and a catalytic group at an enzyme active site, a mechanistic basis for catalytic power of many enzymesJ. Biol. Chem. v275, p.41100-41106
55806	1COY	Li J, Vrielink A, Brick P, Blow DMCrystal structure of cholesterol oxidase complexed with a steroid substrate: implications for flavin adenine dinucleotide dependent alcohol oxidasesBiochemistry v32, p.11507-11515
Melting Point	140-141	deg C		EXP
log P (octanol-water)	3.23	(none)		EXP
Water Solubility	63.5	mg/L	25	EXP
Vapor Pressure	2.23E-08	mm Hg	25	EST
Henry's Law Constant	6.62E-09	atm-m3/mole	25	EST
Atmospheric OH Rate Constant	1.27E-10	cm3/molecule-sec	25	EST

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source |man |TDLo |oral |10mg/kg/2W-I (10mg/kg) |CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) |Annals of Internal Medicine. Vol. 129, Pg. 588, 1998. |- |mouse |LD50 |oral |> 10gm/kg (10000mg/kg) | |British UK Patent Application. Vol. #2208473, |- |mouse |LD50 |subcutaneous |900mg/kg (900mg/kg) |British UK Patent Application. Vol. #2208473, |- |rat |LD50 |oral |> 10gm/kg (10000mg/kg) |British UK Patent Application. Vol. #2208473, |- |rat |LD50 |subcutaneous |1gm/kg (1000mg/kg) |British UK Patent Ap |- |}