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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 11 12 13 14 15 16 17 18 19 20  Next >> [54]
283661 7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-decalin-2-one
286105 17-hydroxy-7,10,13,17-tetramethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3
-one
287615 8-hydroxy-10a,12a-dimethyl-3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12-tetradecahydro-2H-chrysen-1-one
287616 8-hydroxy-10a-methyl-2,3,4,4a,4b,5,6,6a,7,8,9,10,10b,11,12,12a-hexadecahydrochrysen-1-one
287642 8-hydroxy-3,4,4a,4b,5,6,6a,7,8,9,10,10a,10b,11,12,12a-hexadecahydro-2H-chrysen-1-one
287692 17-hydroxy-7,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-
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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