Home | Screening data | Screen comparisons | Search for compounds | Structure search

Compound InformationSONAR 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 Failures0
TPSA91.88
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] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: KRE1
Replicates: 2
Raw OD Value: r im 0.6225±0.0173948
Normalized OD Score: sc h 0.9637±0.00493912
Z-Score: -1.5554±0.266655
p-Value: 0.126413
Z-Factor: -4.58518
Fitness Defect: 2.0682
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:13|A9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-11-22 YYYY-MM-DD
Plate CH Control (+):0.03925±0.00175
Plate DMSO Control (-):0.634375±0.02407
Plate Z-Factor:0.8702
png
ps
pdf

DBLink | Rows returned: 19<< Back 1 2 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

active | Cluster 7902 | Additional Members: 9 | Rows returned: 4
SPE01505123 0.435897435897436
SPE00270029 0.405797101449275
SPE01500645 0.276923076923077
SPE01505713 0.205882352941177

Service provided by the Mike Tyers Laboratory