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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 2 3 4 5 6 7 8 9 10  Next >> [63]
Species: 4932
Condition: ARF1
Replicates: 2
Raw OD Value: r im 0.5890±0.0247487
Normalized OD Score: sc h 0.8657±0.0272473
Z-Score: -6.5093±1.34141
p-Value: 0.0000000134309
Z-Factor: -1.16728
Fitness Defect: 18.1257
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:9|A3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-10-02 YYYY-MM-DD
Plate CH Control (+):0.04212500000000001±0.00092
Plate DMSO Control (-):0.6622±0.03866
Plate Z-Factor:0.7899
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DBLink | Rows returned: 1448[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [242]
11622 tridecan-2-one
12203 decan-4-one
12533 octadecanal
12741 decan-2-one
13162 pentadecan-8-one
13175 decan-5-one

internal high similarity DBLink | Rows returned: 17<< Back 1 2 3 Next >> 
SPE00300564 1.0000
SPE00270088 1.0000
SPE00100551 1.0000
BTB 10730 1.0000
RJC 00812 1.0000
NRB 03874 1.0000

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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