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Compound InformationSONAR Target prediction
Name:

EPIANDROSTERONE

Unique Identifier:SPE00310009
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:261.21 g/mol
X log p:-0.512  (online calculus)
Lipinksi Failures0
TPSA17.07
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:2
Rotatable Bond Count:0
Canonical Smiles:CC12CCC(O)CC1CCC1C2CCC2(C)C1CCC2=O
Class:sterol
Source:in normal human urine
Reference:J Am Chem Soc 75: 2275 (9153)
Generic_name:AETIOCHOLANOLONE
Chemical_iupac_name:AETIOCHOLANOLONE
Drug_type:Experimental
Drugbank_id:EXPT00443
Drug_category:Alcohol Sulfotransferase inhibitor
Organisms_affected:-1

Found: 92 active | as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [92]
Species: 4932
Condition: ARF1
Replicates: 2
Raw OD Value: r im 0.5316±0.00296985
Normalized OD Score: sc h 0.8376±0.00411238
Z-Score: -7.8662±0.22512
p-Value: 0.0000000000000069468
Z-Factor: 0.036774
Fitness Defect: 32.6005
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.30 Celcius
Date:2007-10-02 YYYY-MM-DD
Plate CH Control (+):0.041425000000000003±0.00098
Plate DMSO Control (-):0.64175±0.02934
Plate Z-Factor:0.8538
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DBLink | Rows returned: 323[1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [54]
247863 (2R,3S,5S,8S,9S,10S,13S,14S)-3-hydroxy-2,10,13-trimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydro
cyclopenta[a]phenanthren-17-one
250212 17-hydroxy-4,4,10,13,14-pentamethyl-1,2,5,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-o
ne
250214 1-[(3S,5S,8R,9S,10S,13R,14S,17S)-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,7,8,9,11,12,15,16,17-dodecah
ydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone
252049 n/a
255701 (4S,5S,8R,9S,10S,13S,14S,17S)-17-hydroxy-4,13-dimethyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro
-1H-cyclopenta[a]phenanthren-3-one
257410 n/a

internal high similarity DBLink | Rows returned: 5
LOPAC 01140 0.9474
LOPAC 00697 1.0000
LOPAC 01166 1.0000
NRB 03688 1.0000
SPE00100303 1.0000

nonactive | Cluster 11774 | Additional Members: 14 | Rows returned: 82 Next >> 
SPE00107108 0.377049180327869
SPE00107113 0.353846153846154
SPE01503675 0.34375
SPE00100586 0.275862068965517
Prest1062 0
Prest689 0

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