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

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 91 92 93 94 95 96 97 98 99 100  Next >> [101]
Species: 4932
Condition: TOP1
Replicates: 2
Raw OD Value: r im 0.5893±0.0146371
Normalized OD Score: sc h 1.0123±0.0238278
Z-Score: 0.1892±0.374662
p-Value: 0.794688
Z-Factor: -7.29868
Fitness Defect: 0.2298
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:5|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2006-04-26 YYYY-MM-DD
Plate CH Control (+):0.040075±0.00110
Plate DMSO Control (-):0.5815±0.02355
Plate Z-Factor:0.8370
png
ps
pdf

DBLink | Rows returned: 211 2 3 4 Next >> 
1875 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-butanoic acid
4897 4-[2-(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
15582 sodium
4-[2-(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
16922 sodium
4-[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]-4-oxo-butanoate
16923 4-[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]-4-oxo-butanoic acid
63017 4-[[(6S,8S,9S,10S,11S,13S,14S,17R)-11-hydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-3-oxo-7,8,9,11,12,1
4,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]oxy]-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
Service provided by the Mike Tyers Laboratory