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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 41 42 43 44 45 46 47 48 49 50  Next >> [205]
Species: 4932
Condition: MMS22
Replicates: 2
Raw OD Value: r im 0.5364±0.0284257
Normalized OD Score: sc h 1.0139±0.0350215
Z-Score: 0.5128±1.15004
p-Value: 0.474362
Z-Factor: -12.4399
Fitness Defect: 0.7458
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.80 Celcius
Date:2008-06-13 YYYY-MM-DD
Plate CH Control (+):0.04025±0.00098
Plate DMSO Control (-):0.519425±0.01320
Plate Z-Factor:0.8957
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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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