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Compound InformationSONAR Target prediction
Name:

5alpha-Pregnan-3alpha-ol-20-one

Unique Identifier:LOPAC 01166
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H34O2
Molecular Weight:285.231 g/mol
X log p:0.313  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC21C
Class:GABA
Action:Modulator
Selectivity:GABA-A
Generic_name:AETIOCHOLANOLONE
Chemical_iupac_name:AETIOCHOLANOLONE
Drug_type:Experimental
Drugbank_id:EXPT00443
Drug_category:Alcohol Sulfotransferase inhibitor
Organisms_affected:-1

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: CLN3
Replicates: 2
Raw OD Value: r im 0.6651±0.00487904
Normalized OD Score: sc h 0.9785±0.0167989
Z-Score: -0.7005±0.462388
p-Value: 0.506492
Z-Factor: -180.85
Fitness Defect: 0.6802
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:13|E5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-05-08 YYYY-MM-DD
Plate CH Control (+):0.048100000000000004±0.00077
Plate DMSO Control (-):0.681825±0.03666
Plate Z-Factor:0.8231
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DBLink | Rows returned: 323[1] << Back 51 52 53 54
8015697 (5R,8R,9S,10S,13S,14R,17R)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyc
lopenta[a]phenanthren-3-one
11000589 1-hydroxyoctadecan-9-one
11978239 n/a
15940313 n/a
15940314 n/a

internal high similarity DBLink | Rows returned: 5
LOPAC 01140 0.9474
LOPAC 00697 1.0000
NRB 03688 1.0000
SPE00100303 1.0000
SPE00310009 1.0000

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

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