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Compound InformationSONAR Target prediction
Name:

PRACTOLOL

Unique Identifier:SPE01503632
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14H22N2O3
Molecular Weight:244.161 g/mol
X log p:7.795  (online calculus)
Lipinksi Failures1
TPSA26.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:8
Canonical Smiles:CC(C)NCC(O)COc1ccc(NC(C)=O)cc1
Therapeutics:beta adrenergic agonist

Found: 114 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [114]
Species: 4932
Condition: BCK1
Replicates: 2
Raw OD Value: r im 0.8710±0.00438406
Normalized OD Score: sc h 0.9986±0.00306116
Z-Score: 0.2961±0.0650569
p-Value: 0.767388
Z-Factor: -2.37007
Fitness Defect: 0.2648
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:8|C3
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09499999999999999±0.00980
Plate DMSO Control (-):0.9554999999999999±0.02194
Plate Z-Factor:0.8527
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DBLink | Rows returned: 17<< Back 1 2 3
7166475 N-[4-[(2R)-3-diethylamino-2-hydroxy-propoxy]phenyl]acetamide
7166506 [(2R)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]-tert-butyl-azanium
7166507 N-[4-[(2R)-2-hydroxy-3-(tert-butylamino)propoxy]phenyl]acetamide
7166508 [(2S)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]-tert-butyl-azanium
7166509 N-[4-[(2S)-2-hydroxy-3-(tert-butylamino)propoxy]phenyl]acetamide

internal high similarity DBLink | Rows returned: 0

nonactive | Cluster 7246 | Additional Members: 18 | Rows returned: 141 2 3 Next >> 
LOPAC 00725 0.416666666666667
Prest779 0.416666666666667
SPE01505704 0.406779661016949
Prest1084 0.406779661016949
Prest742 0.358490566037736
Prest1009 0.333333333333333

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