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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 71 72 73 74 75 76 77 78 79 80  Next >> [92]
Species: 4932
Condition: SNF2
Replicates: 2
Raw OD Value: r im 0.5084±0.0281428
Normalized OD Score: sc h 0.8312±0.0600279
Z-Score: -5.0611±1.94242
p-Value: 0.000113189
Z-Factor: -0.759688
Fitness Defect: 9.0865
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:16|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.70 Celcius
Date:2008-02-01 YYYY-MM-DD
Plate CH Control (+):0.039675±0.00934
Plate DMSO Control (-):0.5689500000000001±0.02178
Plate Z-Factor:0.7716
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DBLink | Rows returned: 323[1] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [54]
572822 3-hydroxy-10,13-dimethyl-17-(6-methylheptan-2-yl)-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclope
nta[a]phenanthren-11-one
573890 3-(4-hydroxybutyl)-2-methyl-cyclohexan-1-one
579303 n/a
588284 11-(hydroxymethyl)-4,4a,6a,6b,8a,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-
1H-picen-3-one
597906 n/a
605178 10-hydroxy-1,2,4a,6a,6b,9,9,12a-octamethyl-1,2,3,4,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicen
-5-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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