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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: 203 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [203]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.6306±0.00834386
Normalized OD Score: sc h 0.9783±0.00192348
Z-Score: -1.2551±0.0597833
p-Value: 0.20985
Z-Factor: -0.282536
Fitness Defect: 1.5614
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:1|G10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.40 Celcius
Date:2006-03-24 YYYY-MM-DD
Plate CH Control (+):0.0403±0.00172
Plate DMSO Control (-):0.6864250000000002±0.01577
Plate Z-Factor:0.9241
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DBLink | Rows returned: 3232 3 4 5 6 7 8 9 10  Next >> [54]
15 17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
225 3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
3167 17-hydroxy-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-
one
4079 17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
5879 (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclop
enta[a]phenanthren-17-one
5880 (3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclop
enta[a]phenanthren-17-one

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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