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Compound InformationSONAR Target prediction
Name:

5alpha-ANDROSTAN-3,17-DIONE

Unique Identifier:SPE00107108
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:261.21 g/mol
X log p:-0.364  (online calculus)
Lipinksi Failures0
TPSA34.14
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CC12CCC(=O)CC1CCC1C2CCC2(C)C1CCC2=O
Class:sterol
Source:human urine & adrenal cortex
Therapeutics:androgen
Generic_name:5ALPHA-ANDROSTAN-3,17-DIONE
Chemical_iupac_name:5ALPHA-ANDROSTAN-3,17-DIONE
Drug_type:Experimental
Drugbank_id:EXPT00262
Drug_category:Estradiol 17 Beta-Dehydrogenase 1 inhibitor
Organisms_affected:-1

Found: 63 active | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [63]
Species: 4932
Condition: BEM2
Replicates: 2
Raw OD Value: r im 0.6691±0.0366281
Normalized OD Score: sc h 0.7532±0.063431
Z-Score: -7.2434±1.75015
p-Value: 0.000000000951546
Z-Factor: -0.19843
Fitness Defect: 20.7729
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.10 Celcius
Date:2006-03-25 YYYY-MM-DD
Plate CH Control (+):0.041475±0.00169
Plate DMSO Control (-):0.6455±0.01334
Plate Z-Factor:0.9220
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DBLink | Rows returned: 1448[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [242]
13187 nonan-2-one
13207 1-cyclohexylethanone
13246 cyclododecanone
13398 3,3,5-trimethylcyclohexan-1-one
13409 n/a
13420 cycloundecanone

internal high similarity DBLink | Rows returned: 171 2 3 Next >> 
RJC 02257 0.9231
RJC 02979 0.9231
JFD 02406 0.9231
BTBG 00073 0.9231
BTB 14425 0.9231
BTB 13696 0.9231

active | Cluster 11774 | Additional Members: 14 | Rows returned: 5
SPE00107113 0.353846153846154
SPE01503675 0.34375
SPE00100586 0.275862068965517
SPE00310009 0
LOPAC 00697 0

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