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Compound InformationSONAR Target prediction
Name:

PREDNISOLONE ACETATE

Unique Identifier:SPE01500497
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:372.242 g/mol
X log p:3.68  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C
Source:semisynthetic
Therapeutics:glucocorticoid

Found: 205 nonactive as graph: single | with analogs [1] << Back 171 172 173 174 175 176 177 178 179 180  Next >> [205]
Species: 4932
Condition: PRE9
Replicates: 2
Raw OD Value: r im 0.6279±0.00106066
Normalized OD Score: sc h 1.0200±0.008018
Z-Score: 0.7564±0.295211
p-Value: 0.459202
Z-Factor: -7.91355
Fitness Defect: 0.7783
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:16|D10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.20 Celcius
Date:2007-10-04 YYYY-MM-DD
Plate CH Control (+):0.0398±0.00051
Plate DMSO Control (-):0.6073±0.14019
Plate Z-Factor:0.1967
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DBLink | Rows returned: 22<< Back 1 2 3 4 Next >> 
6546950 [2-[(6R,8S,9S,10S,11R,13R,14R,17S)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydr
o-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
6546952 [2-[(8S,9R,10S,11R,13R,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-c
yclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
6568657 [2-[(8R,9S,10R,11S,13R,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-c
yclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
6708799 [2-[(6S,11S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]
phenanthren-17-yl]-2-oxo-ethyl] acetate
6957661 [2-[(6R,8R,9S,10S,11R,13R,14R,17S)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydr
o-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
6957665 [2-[(8R,9S,10S,11R,13S,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-c
yclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate

internal high similarity DBLink | Rows returned: 6
NRB 03740 0.9048
SPE01500338 0.9048
SPE01503723 0.9222
NRB 03732 0.9302
SPE01503254 1.0000
TL 00535 1.0000

active | Cluster 17014 | Additional Members: 17 | Rows returned: 2
Prest1079 0.577319587628866
Prest840 0.425287356321839

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