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Compound InformationSONAR Target prediction
Name:

ALLOPREGNANOLONE

Unique Identifier:SPE00100303
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:286.239 g/mol
X log p:0.39  (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:sterol
Source:semisynthetic
Reference:J Am Chem Soc 59: 616 (1937)
Generic_name:AETIOCHOLANOLONE
Chemical_iupac_name:AETIOCHOLANOLONE
Drug_type:Experimental
Drugbank_id:EXPT00443
Drug_category:Alcohol Sulfotransferase inhibitor
Organisms_affected:-1

Found: 4 active | as graph: single | with analogs << Back 1 2 3 4 Next >> 
Species: 4932
Condition: DRS2
Replicates: 2
Raw OD Value: r im 0.5952±0.0222032
Normalized OD Score: sc h 0.8494±0.0157852
Z-Score: -6.5015±0.665672
p-Value: 0.000000000817384
Z-Factor: 0.270296
Fitness Defect: 20.9249
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.00 Celcius
Date:2008-01-11 YYYY-MM-DD
Plate CH Control (+):0.041325±0.00041
Plate DMSO Control (-):0.6839500000000001±0.01415
Plate Z-Factor:0.9346
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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
LOPAC 01166 1.0000
NRB 03688 1.0000
SPE00310009 1.0000

active | Cluster 17389 | Additional Members: 4 | Rows returned: 1
SPE00100652 0.4

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