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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: 134 nonactive | as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [134]
Species: 4932
Condition: BY4741-3rd
Replicates: 2
Raw OD Value: r im 0.5605±0.0141421
Normalized OD Score: sc h 1.0089±0.00930339
Z-Score: 1.9218±0.666147
p-Value: 0.0817788
Z-Factor: -8.70085
Fitness Defect: 2.5037
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.70 Celcius
Date:2007-09-25 YYYY-MM-DD
Plate CH Control (+):0.039650000000000005±0.00032
Plate DMSO Control (-):0.6551±0.03072
Plate Z-Factor:0.8548
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DBLink | Rows returned: 3232 3 4 5 6 7 8 9 10  Next >> [54]
15 17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
225 3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-17-one
3167 17-hydroxy-2,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-
one
4079 17-hydroxy-10,13,17-trimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
5879 (3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclop
enta[a]phenanthren-17-one
5880 (3R,5R,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclop
enta[a]phenanthren-17-one

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

active | Cluster 11774 | Additional Members: 14 | Rows returned: 5
SPE00107108 0.377049180327869
SPE00107113 0.353846153846154
SPE01503675 0.34375
SPE00100586 0.275862068965517
LOPAC 00697 0

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