Home | Screening data | Screen comparisons | Search for compounds | Structure search

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: TRK1
Replicates: 2
Raw OD Value: r im 0.4421±0.00282843
Normalized OD Score: sc h 0.9423±0.00609985
Z-Score: -1.7845±0.193964
p-Value: 0.0770602
Z-Factor: -0.875127
Fitness Defect: 2.5632
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:3|H5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.40 Celcius
Date:2008-03-14 YYYY-MM-DD
Plate CH Control (+):0.040075±0.00051
Plate DMSO Control (-):0.450225±0.01572
Plate Z-Factor:0.8795
png
ps
pdf

DBLink | Rows returned: 37<< Back 1 2 3 4 5 6 7 Next >> 
5771591 [2-[(8R,9S,10R,11R,14S,16S)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octah
ydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]phosphonic acid
6431705 disodium
(9R,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-17-(2-phosphonatooxyacetyl)-6,7,8,11,12,14,15,1
6-octahydrocyclopenta[a]phenanthren-3-one
6431707 disodium
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
6560185 (8R,9R,10R,11R,13R,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
6560186 [2-[(8R,9R,10R,11R,13R,14S,16S,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
6602441 [2-[(9R,10S,11S,13S,16R,17R)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octa
hydrocyclopenta[a]phenanthren-17-yl]-2-oxo-ethoxy]phosphonic acid

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

Service provided by the Mike Tyers Laboratory