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Compound InformationSONAR Target prediction
Name:

PREDNISOLONE ACETATE

Unique Identifier:SPE01500497
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:372.242 g/mol
X log p:3.68  (online calculus)
Lipinksi Failures0
TPSA60.44
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:6
Rotatable Bond Count:4
Canonical Smiles:CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(O)CC21C
Source:semisynthetic
Therapeutics:glucocorticoid

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: ABP1
Replicates: 2
Raw OD Value: r im 0.6967±0.0086267
Normalized OD Score: sc h 0.9983±0.00335635
Z-Score: -0.0945±0.172437
p-Value: 0.903384
Z-Factor: -52.4165
Fitness Defect: 0.1016
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:2|F2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:21.90 Celcius
Date:2007-12-20 YYYY-MM-DD
Plate CH Control (+):0.041925000000000004±0.00233
Plate DMSO Control (-):0.6859500000000001±0.01433
Plate Z-Factor:0.9184
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DBLink | Rows returned: 222 3 4 Next >> 
4895 [2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-y
l)-2-oxo-ethyl] acetate
5834 [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-c
yclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
5877 [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-octahydr
o-6H-cyclopenta[a]phenanthren-17-yl]-2-oxo-ethyl] acetate
247936 [2-[(6R,8S,9S,10S,11S,13S,14S,17R)-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
584547 [2-(11,17-dihydroxy-6,10,13-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-1
7-yl)-2-oxo-ethyl] acetate
5702107 [2-[(11S,13S,17R)-11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]ph
enanthren-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
SPE01503254 1.0000
TL 00535 1.0000

nonactive | Cluster 17014 | Additional Members: 17 | Rows returned: 142 3 Next >> 
SPE01505125 0.577319587628866
Prest1079 0.577319587628866
Prest1284 0.454545454545455
LOPAC 00729 0.425287356321839
Prest840 0.425287356321839
LAT003F07 0.425287356321839

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