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Compound InformationSONAR Target prediction
Name:

Terbutaline hemisulfate

Unique Identifier:LOPAC 01240
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C24H40N2O10S
Molecular Weight:508.33 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.CC(C)(C)NCC(O)c1cc(O)cc(O)c1.OS(O)(=O)=O
Class:Adrenoceptor
Action:Agonist
Selectivity:beta

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: ESC2
Replicates: 2
Raw OD Value: r im 0.4530±0.0210011
Normalized OD Score: sc h 0.9570±0.0131856
Z-Score: -1.3243±0.323963
p-Value: 0.196889
Z-Factor: -1.66975
Fitness Defect: 1.6251
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:15|A7
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:28.30 Celcius
Date:2005-11-25 YYYY-MM-DD
Plate CH Control (+):0.0387±0.00145
Plate DMSO Control (-):0.46597500000000003±0.01191
Plate Z-Factor:0.9089
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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 0.9016
SPE01500390 0.9032
LOPAC 01034 1.0000
SPE01500558 1.0000

active | Cluster 17428 | Additional Members: 9 | Rows returned: 0

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