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Compound InformationSONAR Target prediction
Name:

CRESOPYRINE

Unique Identifier:SPE01401414
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:184.105 g/mol
X log p:5.436  (online calculus)
Lipinksi Failures1
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CC(=O)Oc1c(C)cccc1C(O)=O
Source:synthetic
Therapeutics:antiinflammatory, antpyretic

Found: 192 nonactive as graph: single | with analogs [1] << Back 121 122 123 124 125 126 127 128 129 130  Next >> [192]
Species: 4932
Condition: DRS2
Replicates: 2
Raw OD Value: r im 0.7155±0.00700036
Normalized OD Score: sc h 1.0074±0.00293995
Z-Score: 0.3170±0.125683
p-Value: 0.75221
Z-Factor: -9.19223
Fitness Defect: 0.2847
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.90 Celcius
Date:2008-01-11 YYYY-MM-DD
Plate CH Control (+):0.041550000000000004±0.00074
Plate DMSO Control (-):0.6819249999999999±0.01599
Plate Z-Factor:0.9190
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DBLink | Rows returned: 2
78094 2-acetyloxy-3-methyl-benzoic acid
6918960 2-acetyloxy-3-methyl-benzoate

internal high similarity DBLink | Rows returned: 3
LOPAC 00659 0.9403
SPE00211363 0.9403
SB 01734 1.0000

active | Cluster 15454 | Additional Members: 4 | Rows returned: 0

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