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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 111 112 113 114
Species: 4932
Condition: YPT6
Replicates: 2
Raw OD Value: r im 0.7230±0.000919239
Normalized OD Score: sc h 1.0143±0.00482894
Z-Score: 0.4858±0.18605
p-Value: 0.63005
Z-Factor: -10.1192
Fitness Defect: 0.462
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|E3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:22.60 Celcius
Date:2006-02-22 YYYY-MM-DD
Plate CH Control (+):0.041075±0.00101
Plate DMSO Control (-):0.69315±0.01641
Plate Z-Factor:0.9242
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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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