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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 11 12 13 14 15 16 17 18 19 20  Next >> [92]
Species: 4932
Condition: GPR1
Replicates: 2
Raw OD Value: r im 0.5320±0.0404465
Normalized OD Score: sc h 0.6969±0.0276751
Z-Score: -8.5640±0.253172
p-Value: 2.65094e-17
Z-Factor: 0.584385
Fitness Defect: 38.169
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:7|B7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2006-03-02 YYYY-MM-DD
Plate CH Control (+):0.038275±0.00135
Plate DMSO Control (-):0.7358499999999999±0.01041
Plate Z-Factor:0.9539
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DBLink | Rows returned: 323[1] << Back 51 52 53 54 Next >> [54]
7330580 (4R,4aR,6aS,6aR,6bR,8aS,12aS,14aR,14bS)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-2,4,5,6,6a,7
,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
7330581 (4R,4aR,6aS,6aS,6bR,8aS,12aS,14aR,14bR)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-2,4,5,6,6a,7
,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
7330582 (4R,4aR,6aS,6aS,6bR,8aS,12aS,14aR,14bS)-8a-(hydroxymethyl)-4,4a,6a,6b,11,11,14a-heptamethyl-2,4,5,6,6a,7
,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
7607962 (2R)-2-(11-hydroxyundecyl)cyclohexan-1-one
7607970 (2S)-2-(11-hydroxyundecyl)cyclohexan-1-one
7722675 (5R,8R,9R,10S,13S,14S,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

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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