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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 51 52 53 54 55 56 57 58 59 60  Next >> [63]
Species: 4932
Condition: RGP1
Replicates: 2
Raw OD Value: r im 0.2410±0.0066468
Normalized OD Score: sc h 0.5491±0.0139346
Z-Score: -11.7710±0.526649
p-Value: 2.12394e-30
Z-Factor: 0.70779
Fitness Defect: 68.3243
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|C8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2008-06-26 YYYY-MM-DD
Plate CH Control (+):0.039775±0.00069
Plate DMSO Control (-):0.429475±0.01300
Plate Z-Factor:0.8756
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DBLink | Rows returned: 1448[1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [242]
81277 tetradecan-6-one
81844 octadecan-2-one
81914 4-[2-(4-oxocyclohexyl)propan-2-yl]cyclohexan-1-one
82229 (1R,4S)-1,3,3-trimethylnorbornan-2-one
82706 4-methyl-4-(4-propan-2-ylcyclohexyl)pentan-2-one
83384 (3R)-3-methylcyclohexan-1-one

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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