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Compound InformationSONAR Target prediction
Name:

Pregnenolone

Unique Identifier:Prest859
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21H32O2
Molecular Weight:287.247 g/mol
X log p:1.976  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:1
Canonical Smiles:CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C
Generic_name:3-BETA-HYDROXY-5-ANDROSTEN-17-ONE
Chemical_iupac_name:3-BETA-HYDROXY-5-ANDROSTEN-17-ONE
Drug_type:Experimental
Drugbank_id:EXPT00519
Logp:3.73
Drug_category:Isomerase inhibitor
Organisms_affected:-1

Found: 3 nonactive as graph: single | with analogs 1 2 3 Next >> 
Species: 9606
Condition: TMPPre001
Replicates: 2
Raw OD Value: r im 2166.0000±0
Normalized OD Score: sc h 1.0848±0
Z-Score: 1.9117±0
p-Value: 0.0559102
Z-Factor: -3.22136
Fitness Defect: 2.884
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:7|G7
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:24.10 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):951.5±923.27222
Plate DMSO Control (-):2006±543.99595
Plate Z-Factor:-4.4324
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DBLink | Rows returned: 103<< Back 11 12 13 14 15 16 17 18
11875467 1-[(3S,8S,9S,10R,13S,14R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cycl
openta[a]phenanthren-17-yl]ethanone

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7902 | Additional Members: 9 | Rows returned: 6
SPE01505123 0.435897435897436
Prest1157 0.405797101449275
SPE00270029 0.405797101449275
SPE01500645 0.276923076923077
LOPAC 00530 0.227272727272727
SPE01505713 0.205882352941177

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