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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 1 2 3 4 5 6 7 8 9 10  Next >> [85]
Species: 4932
Condition: FKS1
Replicates: 2
Raw OD Value: r im 0.4557±0.00883884
Normalized OD Score: sc h 0.7807±0.0123958
Z-Score: -4.1962±0.251322
p-Value: 0.0000353946
Z-Factor: -0.225971
Fitness Defect: 10.249
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:2|D6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.90 Celcius
Date:2006-04-11 YYYY-MM-DD
Plate CH Control (+):0.03805±0.00211
Plate DMSO Control (-):0.577525±0.05324
Plate Z-Factor:0.6920
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DBLink | Rows returned: 103<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
908452 (3R,8R,9R,10R,13R,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phe
nanthren-17-one
1767844 1-[(3R,8S,9R,10S,13R,14S,16S,17R)-3-hydroxy-10,13,16-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro
-1H-cyclopenta[a]phenanthren-17-yl]ethanone
1780096 (3R,8R,9R,10R,13R,14R)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phe
nanthren-17-one
2817714 (3R,8R,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17
-one
2854334 n/a
3036245 (3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-7-tritio-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclope
nta[a]phenanthren-17-one

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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