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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 [1] << Back 21 22 23 24 25 26 27 28 29 30  Next >> [92]
Species: 4932
Condition: MET16
Replicates: 2
Raw OD Value: r im 0.5416±0.00148492
Normalized OD Score: sc h 0.8143±0.0097482
Z-Score: -9.3822±0.390059
p-Value: 4.28302e-20
Z-Factor: 0.426577
Fitness Defect: 44.597
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.10 Celcius
Date:2007-10-18 YYYY-MM-DD
Plate CH Control (+):0.040275000000000005±0.00028
Plate DMSO Control (-):0.656375±0.01662
Plate Z-Factor:0.9155
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DBLink | Rows returned: 323[1] << Back 51 52 53 54
8015697 (5R,8R,9S,10S,13S,14R,17R)-17-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyc
lopenta[a]phenanthren-3-one
11000589 1-hydroxyoctadecan-9-one
11978239 n/a
15940313 n/a
15940314 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

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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