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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 81 82 83 84 85 86 87 88 89 90  Next >> [205]
Species: 4932
Condition: VPS35
Replicates: 2
Raw OD Value: r im 0.6772±0.0140714
Normalized OD Score: sc h 0.9521±0.0229888
Z-Score: -2.4148±1.19821
p-Value: 0.0590414
Z-Factor: -2.42423
Fitness Defect: 2.8295
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:29.80 Celcius
Date:2008-02-20 YYYY-MM-DD
Plate CH Control (+):0.04105±0.00060
Plate DMSO Control (-):0.68445±0.01768
Plate Z-Factor:0.9241
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DBLink | Rows returned: 37<< Back 1 2 3 4 5 6 7
15604136 [2-[(8R,9R,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-ethoxy]phosphonic acid;
(8S,9S,10S,11S,13S,14S,16R,17R)-9-fluoro-11,17-dihydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-6,7,8,1
1,12,14,15,16-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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