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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 61 62 63 64 65 66 67 68 69 70  Next >> [114]
Species: 4896
Condition: MT1181-W303mata
Replicates: 2
Raw OD Value: r im 0.3964±0.0125158
Normalized OD Score: sc h 1.0139±0.0156631
Z-Score: 0.1418±0.160577
p-Value: 0.887936
Z-Factor: -33.9875
Fitness Defect: 0.1189
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|E3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.20 Celcius
Date:2005-12-14 YYYY-MM-DD
Plate CH Control (+):0.37897500000000006±0.03113
Plate DMSO Control (-):0.400625±0.02652
Plate Z-Factor:-4.2732
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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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