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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 81 82 83 84 85 86 87 88 89 90  Next >> [114]
Species: 4932
Condition: RPL9B
Replicates: 2
Raw OD Value: r im 0.8124±0.0164049
Normalized OD Score: sc h 1.0181±0.00562693
Z-Score: 0.5363±0.141698
p-Value: 0.593624
Z-Factor: -4.70362
Fitness Defect: 0.5215
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:13|E3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:25.80 Celcius
Date:2006-03-10 YYYY-MM-DD
Plate CH Control (+):0.039900000000000005±0.00244
Plate DMSO Control (-):0.7685250000000001±0.02455
Plate Z-Factor:0.8894
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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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