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Compound InformationSONAR Target prediction
Name:

TESTOSTERONE

Unique Identifier:SPE00307023
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:260.202 g/mol
X log p:1.484  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O
Source:mamallian male hormone
Therapeutics:androgen, antineoplastic
Generic_name:Testosterone
Chemical_iupac_name:17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydrocyclopen
ta[a]phenanthren-3-one
Drug_type:Approved Drug
Pharmgkb_id:PA451627
Kegg_compound_id:C00535
Drugbank_id:APRD00433
Melting_point:155 oC
H2o_solubility:23.4 mg/L
Logp:3.518
Cas_registry_number:58-22-0
Mass_spectrum:http://webbook.nist.gov/cgi/cbook.cgi?Spec=C58220&Index=0&Type=Mass&Large=on
Drug_category:Antineoplastic Agents; Anabolic Agents; Androgens; ATC:G03BA02; ATC:G03BA03;
ATC:G03EK01
Indication:For topical testosterone replacement therapy in males with deficiency or absence of
testosterone
Pharmacology:Testosterone is an antineoplastic hormonal agent primarily used in the treatment of
prostate cancer. Testosterone is a pure, nonsteroidal anti-androgen with affinity
for androgen receptors (but not for progestogen, estrogen, or glucocorticoid
receptors). Consequently, Testosterone blocks the action of androgens of adrenal and
testicular origin which stimulate the growth of normal and malignant prostatic
tissue. Prostate cancer is mostly androgen-dependent and can be treated with
surgical or chemical castration. To date, antiandrogen monotherapy has not
consistently been shown to be equivalent to castration.
Mechanism_of_action:Testosterone competes with androgen for the binding of androgen receptors,
consequently blocking the action of androgens of adrenal and testicular origin which
stimulate the growth of normal and malignant prostatic tissue.
Organisms_affected:Humans and other mammals

Found: 204 nonactive | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [204]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6572±0.00707107
Normalized OD Score: sc h 0.9959±0.000401199
Z-Score: 0.5971±0.00298916
p-Value: 0.550462
Z-Factor: -2.99654
Fitness Defect: 0.597
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:23|D11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.042025±0.00175
Plate DMSO Control (-):0.6377±0.00902
Plate Z-Factor:0.9444
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DBLink | Rows returned: 2262 3 4 5 6 7 8 9 10  Next >> [38]
4160 17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
4620 16-ethyl-17-hydroxy-13-methyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-o
ne
5408 17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
5858 (8R,9S,10R,13S,14S,17S)-17-ethyl-17-hydroxy-13-methyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopent
a[a]phenanthren-3-one
6010 (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a
]phenanthren-3-one
6013 (8R,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]
phenanthren-3-one

internal high similarity DBLink | Rows returned: 152 3 Next >> 
SPE01500380 0.9167
NRB 03831 0.9167
LOPAC 01179 0.9362
LOPAC 00951 0.9565
SPE01500990 0.9565
SPE01500989 0.9565

active | Cluster 2094 | Additional Members: 20 | Rows returned: 6
SPE00300034 0.375
SPE00300029 0.285714285714286
SPE01500508 0
LAT002C06 0
LAT005F10 0
LOPAC 01120 0

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