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Compound Information
SONAR Target prediction
Name:
Pregnenolone sulfate sodium
Unique Identifier:
LOPAC 00530
MolClass:
Checkout models in
ver1.5
and
ver1.0
Molecular Formula:
C21H31NaO5S
Molecular Weight:
387.277 g/mol
X log p:
0.448
(online calculus)
Lipinksi Failures
0
TPSA
91.88
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptors Count:
5
Rotatable Bond Count:
3
Canonical Smiles:
[Na+].[O-]S(=O)(=O)OC1CCC2(C)C3CCC4(C)C(CCC4C(C)=O)C3CC=C2C1
Class:
GABA
Action:
Antagonist
Selectivity:
GABA-A
Found: 24 nonactive as graph:
single
|
with analogs
1
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[24]
Species:
4932
Condition:
BY4741
Replicates:
8
Raw OD Value:
r
im
0.7405±0.0472753
Normalized OD Score:
sc
h
0.9923±0.010663
Z-Score:
-0.2316±0.558477
p-Value:
0.816822
Z-Factor:
-150.067
Fitness Defect:
0.2023
Bioactivity Statement:
Nonactive
Experimental Conditions
Library:
Lopac
Plate Number and Position:
13|A9
Drug Concentration:
50.00 nM
OD Absorbance:
600 nm
Robot Temperature:
27.80 Celcius
Date:
2005-04-07 YYYY-MM-DD
Plate CH Control (+):
0.04800625000000002±0.00227
Plate DMSO Control (-):
0.7375000000000003±0.02694
Plate Z-Factor:
0.9214
png
ps
pdf
DBLink | Rows returned: 19
<< Back
1
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3
4
6604147
(3R,8S,9S,10S,13S,14R,17R)-17-acetyl-10,13-dimethyl-3-sulfooxy-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro
-1H-cyclopenta[a]phenanthrene
internal high similarity DBLink | Rows returned: 0
nonactive
| Cluster 7902 | Additional Members: 9 | Rows returned: 6
SPE01505123
0.435897435897436
Prest1157
0.405797101449275
SPE00270029
0.405797101449275
SPE01500645
0.276923076923077
Prest859
0.276923076923077
SPE01505713
0.205882352941177
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