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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 41 42 43 44 45 46 47 48 49 50  Next >> [85]
Species: 4932
Condition: BY4741
Replicates: 2
Raw OD Value: r im 0.7319±0.0171827
Normalized OD Score: sc h 0.8767±0.00331485
Z-Score: -5.0328±0.453446
p-Value: 0.00000126837
Z-Factor: 0.398854
Fitness Defect: 13.5778
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:12|F11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2008-08-15 YYYY-MM-DD
Plate CH Control (+):0.04285±0.00123
Plate DMSO Control (-):0.7032750000000001±0.01236
Plate Z-Factor:0.9295
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DBLink | Rows returned: 103<< Back 11 12 13 14 15 16 17 18 Next >> 
7061331 1-[(3R,8R,9S,10R,13S,14R,16R,17S)-3-hydroxy-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecah
ydrocyclopenta[a]phenanthren-17-yl]ethanone
7061332 1-[(3R,8R,9S,10R,13S,14S,16R,17S)-3-hydroxy-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecah
ydrocyclopenta[a]phenanthren-17-yl]ethanone
7061333 1-[(3S,8R,9S,10R,13S,14R,16R,17S)-3-hydroxy-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecah
ydrocyclopenta[a]phenanthren-17-yl]ethanone
7061334 1-[(3S,8R,9S,10R,13S,14S,16R,17S)-3-hydroxy-10,13,16,17-tetramethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecah
ydrocyclopenta[a]phenanthren-17-yl]ethanone
7079807 n/a
7079808 n/a

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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