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Compound InformationSONAR Target prediction
Name:

(-)-Epinephrine bitartrate

Unique Identifier:LOPAC 00114
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C13H19NO9
Molecular Weight:315.148 g/mol
X log p:6.036  (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:Adrenoceptor
Action:Agonist

Found: 24 nonactive as graph: single | with analogs [1] << Back 1 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: KRE1
Replicates: 2
Raw OD Value: r im 0.6526±0.00212132
Normalized OD Score: sc h 0.9974±0.000814806
Z-Score: -0.1135±0.038857
p-Value: 0.909684
Z-Factor: -17.9114
Fitness Defect: 0.0947
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:7|C3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.90 Celcius
Date:2005-11-22 YYYY-MM-DD
Plate CH Control (+):0.038474999999999995±0.00138
Plate DMSO Control (-):0.6494500000000001±0.02124
Plate Z-Factor:0.8665
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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 0.9143
LOPAC 00648 0.9143
LOPAC 00113 0.9459
LOPAC 00115 0.9459
SPE01500274 1.0000

active | Cluster 1040 | Additional Members: 10 | Rows returned: 1
LOPAC 00113 0

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