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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: 1 active | as graph: single | with analogs
Species: 4932
Condition: pdr_yCG196
Replicates: 2
Raw OD Value: r im 0.5425±0.000707107
Normalized OD Score: sc h 0.7404±0.0122202
Z-Score: -8.6844±0.474603
p-Value: 3.45846e-17
Z-Factor: 0.576
Fitness Defect: 37.9031
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:13|H7
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09375±0.00920
Plate DMSO Control (-):0.9197500000000001±0.02216
Plate Z-Factor:0.8762
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DBLink | Rows returned: 226[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [38]
3641982 17-hydroxy-13-methyl-17-propyl-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
3670133 17-hydroxy-13-methyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-2-one
3723831 17-hydroxy-2,13-dimethyl-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
3772695 17-hydroxy-2,10,13-trimethyl-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
3780170 17-hydroxy-10,13,17-trimethyl-5,6,7,8,9,11,12,14,15,16-decahydro-4H-cyclopenta[a]phenanthren-3-one
3780486 4-ethyl-17-hydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-o
ne

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

nonactive | Cluster 2094 | Additional Members: 20 | Rows returned: 132 3 Next >> 
SPE01505121 0.468354430379747
SPE00270067 0.463414634146341
SPE01505219 0.422535211267606
Prest432 0.375
SPE00300034 0.375
SPE00300029 0.285714285714286

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