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Compound InformationSONAR Target prediction
Name:

ANDROSTERONE ACETATE

Unique Identifier:SPE00107113
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:301.231 g/mol
X log p:-0.0390000000000001  (online calculus)
Lipinksi Failures0
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:CC(=O)OC1CCC2(C)C(CCC3C2CCC2(C)C3CCC2=O)C1
Source:semisynthetic
Therapeutics:androgen

Found: 23 active | as graph: single | with analogs [1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [23]
Species: 4932
Condition: SAM2
Replicates: 2
Raw OD Value: r im 0.5753±0.0688722
Normalized OD Score: sc h 0.8828±0.0768389
Z-Score: -5.9728±3.99313
p-Value: 0.000818638
Z-Factor: -3.76469
Fitness Defect: 7.1079
Bioactivity Statement: Outlier
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.30 Celcius
Date:2007-09-21 YYYY-MM-DD
Plate CH Control (+):0.03985±0.00032
Plate DMSO Control (-):0.643275±0.04847
Plate Z-Factor:0.7235
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DBLink | Rows returned: 291[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [49]
540068 methyl 7-acetyloxytetradecanoate
540361 methyl 9-acetyloxyhexadecanoate
540509 methyl 8-acetyloxyicosanoate
540513 [10,13-dimethyl-17-(3-oxobutan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]ph
enanthren-3-yl] acetate
540518 methyl 8-acetyloxytetradecanoate
540711 methyl 10-acetyloxyoctadecanoate

internal high similarity DBLink | Rows returned: 101 2 Next >> 
NRB 01759 0.9231
NRB 01694 0.9444
BTB 14978 0.9474
BTBG 00067 0.9474
NRB 02502 0.9730
NRB 03739 0.9730

active | Cluster 11774 | Additional Members: 14 | Rows returned: 5
SPE00107108 0.377049180327869
SPE01503675 0.34375
SPE00100586 0.275862068965517
SPE00310009 0
LOPAC 00697 0

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