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Compound InformationSONAR Target prediction
Name:

METHYLPREDNISOLONE SODIUM SUCCINATE

Unique Identifier:SPE01503723
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C26H33NaO8
Molecular Weight:463.263 g/mol
X log p:3.113  (online calculus)
Lipinksi Failures0
TPSA100.57
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:7
Canonical Smiles:[Na+].[O-]C(=O)CCC(=O)OCC(=O)C1(O)CCC2C3CC(C)C4=CC(=O)C=CC4(C)C3C(O)CC
21C
Therapeutics:antiinflammatory, glucocorticoid

Found: 101 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [101]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.7183±0.00707107
Normalized OD Score: sc h 1.0460±0.0163584
Z-Score: 0.9017±0.335619
p-Value: 0.380574
Z-Factor: -1.64235
Fitness Defect: 0.9661
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.90 Celcius
Date:2006-03-24 YYYY-MM-DD
Plate CH Control (+):0.03845±0.00122
Plate DMSO Control (-):0.67865±0.01795
Plate Z-Factor:0.9013
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DBLink | Rows returned: 21<< Back 1 2 3 4 Next >> 
6560320 4-[2-[(8R,9S,10R,11S,13R,14S,17S)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H
-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid
6708814 4-[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-ethoxy]-4-oxo-butanoic acid
7060965 4-[2-[(8S,9R,10S,11S,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H
-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoate
7060966 4-[2-[(8S,9R,10S,11S,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H
-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid
7060967 4-[2-[(8S,9S,10S,11S,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H
-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoate
7060968 4-[2-[(8S,9S,10S,11S,13S,14R,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H
-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]-4-oxo-butanoic acid

internal high similarity DBLink | Rows returned: 5
LOPAC 00944 0.9121
SPE01500339 0.9121
SPE01500497 0.9222
SPE01503254 0.9222
TL 00535 0.9222

active | Cluster 8234 | Additional Members: 4 | Rows returned: 0

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