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Compound InformationSONAR Target prediction
Name:

3-alpha,21-Dihydroxy-5-alpha-pregnan-20-one

Unique Identifier:LOPAC 01126
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H34O3
Molecular Weight:301.231 g/mol
X log p:-0.154  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:CC12CCC(O)CC1CCC1C3CCC(C(=O)CO)C3(C)CCC12
Class:GABA
Action:Modulator
Selectivity:GABA-A

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4743
Replicates: 2
Raw OD Value: r im 0.6799±0.00975807
Normalized OD Score: sc h 0.9524±0.0707487
Z-Score: -1.2597±1.88038
p-Value: 0.47692
Z-Factor: -6.42775
Fitness Defect: 0.7404
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|B8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-08-19 YYYY-MM-DD
Plate CH Control (+):0.0514±0.00217
Plate DMSO Control (-):0.6902250000000001±0.03299
Plate Z-Factor:0.9048
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DBLink | Rows returned: 145[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [25]
630364 5-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-2,3,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopent
a[a]phenanthren-4-one
630405 17-acetyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren
-3-one
827465 (2S,4S)-2-hydroxy-2-methyl-4-tert-butyl-cyclohexan-1-one
1268070 (1R,2S,5R)-2-hydroxy-2,6,6-trimethyl-norpinan-3-one
2729261 (5S,8R,9S,14S,17R)-17-acetyl-17-hydroxy-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclo
penta[a]phenanthren-3-one
2750706 1-(1-hydroxy-2-methyl-5-propan-2-yl-cyclohexyl)ethanone

internal high similarity DBLink | Rows returned: 1
RJC 02364 1.0000

active | Cluster 17389 | Additional Members: 4 | Rows returned: 2
SPE00100652 0.4
SPE00100303 0

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