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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] << Back 11 12 13 14 15 16 17 18 19 20  Next >> [114]
Species: 4932
Condition: SLT2
Replicates: 2
Raw OD Value: r im 0.8455±0.0033234
Normalized OD Score: sc h 0.9947±0.000522427
Z-Score: 0.3319±0.0251947
p-Value: 0.740042
Z-Factor: -6.26875
Fitness Defect: 0.301
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 (+):0.09949999999999999±0.00809
Plate DMSO Control (-):0.94475±0.02782
Plate Z-Factor:0.8580
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DBLink | Rows returned: 17<< Back 1 2 3 Next >> 
6918923 [(2R)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]-propan-2-yl-azanium
6918924 N-[4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
6973633 [(2S)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]-propan-2-yl-azanium
7166472 [(2S)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]-diethyl-azanium
7166473 N-[4-[(2S)-3-diethylamino-2-hydroxy-propoxy]phenyl]acetamide
7166474 [(2R)-3-(4-acetamidophenoxy)-2-hydroxy-propyl]-diethyl-azanium

internal high similarity DBLink | Rows returned: 0

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

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