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

Compound InformationSONAR Target prediction
Name:

Diclofenac sodium

Unique Identifier:LOPAC 00042
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14Cl2H10NNaO2
Molecular Weight:308.051 g/mol
X log p:15.939  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:5
Canonical Smiles:[Na]OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Class:Prostaglandin
Action:Inhibitor
Selectivity:COX

Found: 24 nonactive as graph: single | with analogs [1] << Back 21 22 23 24
Species: 4932
Condition: WHI5
Replicates: 2
Raw OD Value: r im 0.6391±0.0568514
Normalized OD Score: sc h 1.0131±0.0248536
Z-Score: 0.4425±0.799226
p-Value: 0.608016
Z-Factor: -4.001
Fitness Defect: 0.4976
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:6|E2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:0.00 Celcius
Date:2005-04-20 YYYY-MM-DD
Plate CH Control (+):0.044950000000000004±0.00099
Plate DMSO Control (-):0.72885±0.11336
Plate Z-Factor:0.3798
png
ps
pdf

DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 1
SPE01500237 0.9136

active | Cluster 2098 | Additional Members: 5 | Rows returned: 1
SPE01500237 0

Service provided by the Mike Tyers Laboratory