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Compound InformationSONAR Target prediction
Name:

6alpha-METHYLPREDNISOLONE ACETATE

Unique Identifier:SPE01503254
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:384.253 g/mol
X log p:3.941  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:CC1CC2C3CCC(O)(C(=O)COC(C)=O)C3(C)CC(O)C2C2(C)C=CC(=O)C=C12
Source:semisynthetic
Therapeutics:glucocorticoid

Found: 205 nonactive as graph: single | with analogs [1] << Back 201 202 203 204 205 Next >> [205]
Species: 4932
Condition: pdr_yCG196
Replicates: 2
Raw OD Value: r im 0.8100±0.0410122
Normalized OD Score: sc h 1.0131±0.0153207
Z-Score: 0.4393±0.515723
p-Value: 0.68099
Z-Factor: -6.52057
Fitness Defect: 0.3842
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:22|G11
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09125±0.00662
Plate DMSO Control (-):0.9452499999999999±0.01386
Plate Z-Factor:0.9272
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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
SPE01500497 1.0000
TL 00535 1.0000

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