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Compound InformationSONAR Target prediction
Name:

TERBUTALINE HEMISULFATE

Unique Identifier:SPE01500558
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:302.197 g/mol
X log p:5.569  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:4
Canonical Smiles:CC(C)(C)NCC(O)c1cc(O)cc(O)c1.OS(O)(=O)=O
Source:synthetic
Therapeutics:betaadrenergic agonist, bronchodilator

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: BY4741-3rd
Replicates: 2
Raw OD Value: r im 0.9100±0.013435
Normalized OD Score: sc h 0.9881±0.0212018
Z-Score: -0.4310±0.873954
p-Value: 0.57293
Z-Factor: -15.0577
Fitness Defect: 0.557
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:5|B6
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.0825±0.00289
Plate DMSO Control (-):0.9725±0.01830
Plate Z-Factor:0.9756
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DBLink | Rows returned: 4
31620 [2-(3,5-dihydroxyphenyl)-2-hydroxy-ethyl]-tert-butyl-azanium sulfate
441333 5-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,3-diol; sulfuric acid
441334 5-[1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol; sulfuric acid
657301 5-[1-hydroxy-2-(tert-butylamino)ethyl]benzene-1,3-diol; sulfuric acid

internal high similarity DBLink | Rows returned: 4
JFD 01582 0.9032
SPE01500390 0.9032
LOPAC 01034 1.0000
LOPAC 01240 1.0000

nonactive | Cluster 17428 | Additional Members: 9 | Rows returned: 72 Next >> 
SPE01503917 0.476190476190476
Prest761 0.476190476190476
LOPAC 01034 0.41025641025641
SPE01500390 0.41025641025641
Prest845 0.41025641025641
Prest598 0

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