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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: GIM4
Replicates: 2
Raw OD Value: r im 0.7612±0.00572756
Normalized OD Score: sc h 1.0261±0.00258767
Z-Score: 1.2127±0.105403
p-Value: 0.226522
Z-Factor: -2.01816
Fitness Defect: 1.4849
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:24|D8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.00 Celcius
Date:2008-03-20 YYYY-MM-DD
Plate CH Control (+):0.040475±0.00083
Plate DMSO Control (-):0.71635±0.01906
Plate Z-Factor:0.9067
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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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