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Compound InformationSONAR Target prediction
Name:

ENOXAPARIN SODIUM (1% wt/vol in 10%aq DMSO)

Unique Identifier:SPE01505035
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C57H82N4Na4O53S3
Molecular Weight:1776.76 g/mol
X log p:  (online calculus)
Lipinksi Failures
TPSA
Hydrogen Bond Donor Count:
Hydrogen Bond Acceptors Count:
Rotatable Bond Count:
Canonical Smiles:[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C1OC(OC2C(O)C(NC(C)=O)C(OC2COS([O-])(
=O)=O)OC2C(O)C(O)C(OC3C(O)C(NC(C)=O)C(OC3CO)OC3C(O)C(O)C(OC4C(O)C(NC(C
)=O)C(OC4COS([O-])(=O)=O)OC4C(O)C(O)C(OC5C(O)C(NC(C)=O)C(OC)OC5CO)OC4C
(O)=O)OC3C(O)=O)OC2C(O)=O)C(OS([O-])(=O)=O)C(
Source:mixed low mol wt fragment of heparin; smallest fragment shown; RP-54563, PK-10169
Therapeutics:antithrombotic

Found: 91 nonactive as graph: single | with analogs 2 3 4 5 6 7 8 9 10  Next >> [91]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7347±0.0132229
Normalized OD Score: sc h 0.9823±0.010533
Z-Score: -0.9475±0.580472
p-Value: 0.382834
Z-Factor: -6.48777
Fitness Defect: 0.9602
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:20|G6
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.00 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.040374999999999994±0.00110
Plate DMSO Control (-):0.724475±0.01518
Plate Z-Factor:0.9210
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DBLink | Rows returned: 0

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 1 | Additional Members: 50 | Rows returned: 45<< Back 1 2 3 4 5 6 7 8 Next >> 
SPE01500206 0
SPE01502107 0
SPE01500607 0
SPE01505707 0
LAT007C06 0
LAT006E07 0

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