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Compound Information
SONAR 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 Failures
0
TPSA
17.07
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]
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[92]
Species:
4932
Condition:
BCK1
Replicates:
2
Raw OD Value:
r
im
0.1946±0.0169706
Normalized OD Score:
sc
h
0.3091±0.0198235
Z-Score:
-13.4995±0.148665
p-Value:
3.44747e-41
Z-Factor:
0.736103
Fitness Defect:
93.1683
Bioactivity Statement:
Active
Experimental Conditions
Library:
Spectrum
Plate Number and Position:
7|B7
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
25.00 Celcius
Date:
2006-03-24 YYYY-MM-DD
Plate CH Control (+):
0.03855±0.00108
Plate DMSO Control (-):
0.636325±0.02564
Plate Z-Factor:
0.8275
png
ps
pdf
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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Mike Tyers Laboratory