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Compound InformationSONAR Target prediction
Name:

ADRENALINE BITARTRATE

Unique Identifier:SPE01500274
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:314.14 g/mol
X log p:6.314  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:3
Canonical Smiles:CNCC(O)c1ccc(O)c(O)c1.OC(C(O)C(O)=O)C(O)=O
Class:alkaloid
Source:Portulaca grandiflora
Therapeutics:adrenergic agonist, bronchodilator, antiglaucoma agent

Found: 205 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: HOG1
Replicates: 2
Raw OD Value: r im 0.7655±0.0487904
Normalized OD Score: sc h 1.0782±0.0030229
Z-Score: 2.1486±0.275548
p-Value: 0.0349164
Z-Factor: 0.102397
Fitness Defect: 3.3548
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum_ED
Plate Number and Position:1|H9
Drug Concentration:50.00 nM
OD Absorbance:595 nm
Robot Temperature:30.00 Celcius
Date:2010-08-10 YYYY-MM-DD
Plate CH Control (+):0.09475±0.00944
Plate DMSO Control (-):0.84875±0.01616
Plate Z-Factor:0.9022
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DBLink | Rows returned: 5
5815 (2R,3R)-2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol
89249 (2R,3R)-2,3-dihydroxybutanedioic acid; 4-(1-hydroxy-2-methylamino-ethyl)benzene-1,2-diol
5702049 2,3-dihydroxybutanedioic acid; 4-[(1S)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol
6604103 (2R,3S)-2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol
6852374 2,3-dihydroxybutanedioic acid; 4-[(1R)-1-hydroxy-2-methylamino-ethyl]benzene-1,2-diol

internal high similarity DBLink | Rows returned: 5
LOPAC 00130 0.9041
LOPAC 00648 0.9041
LOPAC 00113 0.9481
LOPAC 00115 0.9481
LOPAC 00114 1.0000

nonactive | Cluster 1040 | Additional Members: 10 | Rows returned: 92 Next >> 
LOPAC 00895 0.314285714285714
LOPAC 00114 0.314285714285714
LOPAC 00984 0
LOPAC 00121 0
LOPAC 00115 0
Prest1146 0

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