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Compound InformationSONAR Target prediction
Name:

Practolol

Unique Identifier:Prest742
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

Found: 3 nonactive as graph: single | with analogs << Back 1 2 3
Species: 9606
Condition: TMPPre003
Replicates: 2
Raw OD Value: r im 18441.0000±0
Normalized OD Score: sc h 0.9942±0
Z-Score: -0.1603±0
p-Value: 0.872612
Z-Factor: -88.7358
Fitness Defect: 0.1363
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Prestwick
Plate Number and Position:5|B3
Drug Concentration:50.00 nM
OD Absorbance:0 nm
Robot Temperature:23.80 Celcius
Date:2006-10-10 YYYY-MM-DD
Plate CH Control (+):18290±2002.70234
Plate DMSO Control (-):18264.5±1013.26960
Plate Z-Factor:-63.2184
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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

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

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