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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 31 32 33 34 35 36 37 38 39 40  Next >> [205]
Species: 4932
Condition: SRS2
Replicates: 2
Raw OD Value: r im 0.7338±0.0072832
Normalized OD Score: sc h 1.0190±0.00254426
Z-Score: 0.9179±0.145434
p-Value: 0.36122
Z-Factor: -1.45599
Fitness Defect: 1.0183
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:9|C4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.30 Celcius
Date:2008-01-22 YYYY-MM-DD
Plate CH Control (+):0.0419±0.00216
Plate DMSO Control (-):0.69625±0.00886
Plate Z-Factor:0.9508
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DBLink | Rows returned: 22<< Back 1 2 3 4 Next >> 
7001033 [2-[(8R,9S,10S,11S,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
7048760 [2-[(8S,9R,10R,11S,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
7048761 [2-[(8S,9R,10R,11S,13S,14S,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
7048762 [2-[(8S,9R,10R,11S,13S,14R,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
7048763 [2-[(8S,9R,10R,11S,13S,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
7059632 [2-[(8R,9S,10S,11S,13S,14S,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

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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