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Compound InformationSONAR Target prediction
Name:

DEXAMETHASONE SODIUM PHOSPHATE

Unique Identifier:SPE01500232
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:489.19 g/mol
X log p:2.424  (online calculus)
Lipinksi Failures0
TPSA116.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:8
Rotatable Bond Count:4
Canonical Smiles:[Na+].[Na+].[O-]P([O-])(=O)OCC(=O)C1(O)C(C)CC2C3CCC4=CC(=O)C=CC4(C)C3(
F)C(O)CC21C
Source:semisynthetic
Therapeutics:glucocorticoid, antiinflammatory

Found: 205 nonactive as graph: single | with analogs [1] << Back 91 92 93 94 95 96 97 98 99 100  Next >> [205]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.6452±0.011243
Normalized OD Score: sc h 0.9961±0.0049178
Z-Score: 0.1968±0.0926219
p-Value: 0.844284
Z-Factor: -7.89999
Fitness Defect: 0.1693
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:11|E10
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.50 Celcius
Date:2006-03-24 YYYY-MM-DD
Plate CH Control (+):0.038475±0.00120
Plate DMSO Control (-):0.6336500000000002±0.01869
Plate Z-Factor:0.8789
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DBLink | Rows returned: 371 2 3 4 5 6 7 Next >> 
2367 [2-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenant
hren-17-yl)-2-oxo-ethoxy]phosphonic acid
3006 9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-(2-phosphonatooxyacetyl)-6,7,8,11,12,14,15,16-octahydrocy
clopenta[a]phenanthren-3-one
9400 [2-[(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,
16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]phosphonic acid
16961 disodium
(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-(2-phosphonatooxyacetyl)-
6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
63037 sodium
(8S,9R,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-[2-(hydroxy-oxido-phosphoryl)oxyacetyl]-10,1
3,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one
65478 disodium
(8S,9R,10S,11S,13S,14S,16S,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-(2-phosphonatooxyacetyl)-
6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

internal high similarity DBLink | Rows returned: 0

active | Cluster 1865 | Additional Members: 13 | Rows returned: 3
Prest990 0.494845360824742
SPE01500136 0.494845360824742
SPE01503210 0.355555555555556

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