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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 31 32 33 34 35 36 37 38 39 40  Next >> [101]
Species: 4932
Condition: FKS1
Replicates: 2
Raw OD Value: r im 0.6290±0.00650538
Normalized OD Score: sc h 1.0417±0.0189719
Z-Score: 0.8222±0.457364
p-Value: 0.434942
Z-Factor: -5.88778
Fitness Defect: 0.8325
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.40 Celcius
Date:2006-04-11 YYYY-MM-DD
Plate CH Control (+):0.038650000000000004±0.00195
Plate DMSO Control (-):0.605275±0.02752
Plate Z-Factor:0.8786
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DBLink | Rows returned: 21<< Back 1 2 3 4 Next >> 
257628 3-[2-[(6S,8S,9S,10S,11S,13S,14S,17R)-11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahy
dro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]carbonyl-2-ethyl-pentanoic acid
443929 sodium
4-[2-[(8S,9S,10S,11S,13S,14S,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
656804 4-[2-[(8S,9S,10S,11S,13S,14S,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
4392599 3-[2-(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]carbonyl-2-ethyl-pentanoic acid
5108833 4-[2-(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-butanoate
6560319 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-butanoate

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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