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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: 171 2 3 Next >> 
4883 N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
443371 N-[4-[(2S)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
450801 N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
3083993 N-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide hydrochloride
3262533 N-[4-(3-diethylamino-2-hydroxy-propoxy)phenyl]acetamide
5120326 N-[4-[2-hydroxy-3-(tert-butylamino)propoxy]phenyl]acetamide

internal high similarity DBLink | Rows returned: 0

active | Cluster 7246 | Additional Members: 18 | Rows returned: 1
LOPAC 00126 0

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