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Compound InformationSONAR Target prediction
Name:

DEHYDROEPIANDROSTERONE

Unique Identifier:SPE00100582
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:260.202 g/mol
X log p:0.92  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O
Source:semisynthetic
Reference:Helv Chim Acta 18: 61 (1935)
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: 85 active | as graph: single | with analogs [1] << Back 71 72 73 74 75 76 77 78 79 80  Next >> [85]
Species: 4932
Condition: TPK1
Replicates: 2
Raw OD Value: r im 0.5598±0.00190919
Normalized OD Score: sc h 0.8453±0.0106744
Z-Score: -7.4604±0.635452
p-Value: 0.00000000000118373
Z-Factor: 0.199432
Fitness Defect: 27.4624
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|F11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.80 Celcius
Date:2008-04-25 YYYY-MM-DD
Plate CH Control (+):0.040225±0.00188
Plate DMSO Control (-):0.64125±0.01943
Plate Z-Factor:0.8984
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DBLink | Rows returned: 103<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
257632 1-(3-hydroxy-6,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-
yl)ethanone
288137 6-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
heptan-2-one
312777 6-[(3R,8R,10S,13S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]ph
enanthren-17-yl]heptan-2-one
313764 3-hydroxy-13-methyl-2,3,4,7,8,9,10,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
351779 2-(3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)
-6-methyl-heptan-3-one
439611 1-[(3S,8S,9S,10R,13R,17S)-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopen
ta[a]phenanthren-17-yl]ethanone

internal high similarity DBLink | Rows returned: 3
JFD 01755 1.0000
NRB 04201 1.0000
SPE01500645 1.0000

active | Cluster 10893 | Additional Members: 6 | Rows returned: 1
JFD 01755 0.453333333333333

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