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Compound InformationSONAR Target prediction
Name:

(±)-Norepinephrine (+)bitartrate

Unique Identifier:LOPAC 00648
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C12H17NO9
Molecular Weight:302.13 g/mol
X log p:5.748  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:4
Rotatable Bond Count:2
Canonical Smiles:NCC(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 2 3 4 5 6 7 8 9 10  Next >> [24]
Species: 4932
Condition: BY4741
Replicates: 8
Raw OD Value: r im 0.8070±0.13082
Normalized OD Score: sc h 1.0082±0.0142501
Z-Score: 0.2621±0.72566
p-Value: 0.793666
Z-Factor: -6.64843
Fitness Defect: 0.2311
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|F4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.60 Celcius
Date:2005-04-07 YYYY-MM-DD
Plate CH Control (+):0.04716875000000002±0.00193
Plate DMSO Control (-):0.7670249999999997±0.04497
Plate Z-Factor:0.7866
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DBLink | Rows returned: 72 Next >> 
5813 4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol; (2R,3R)-2,3-dihydroxybutanedioic acid
165118 4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol; (2R,3R)-2,3-dihydroxybutanedioate
168929 4-[(1S)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol; (2R,3R)-2,3-dihydroxybutanedioic acid
297812 4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol; 2,3-dihydroxybutanedioic acid
517292 [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]azanium; 2,3,4-trihydroxy-4-oxo-butanoate; hydrate
3047796 4-[(1R)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol; (2R,3R)-2,3-dihydroxybutanedioic acid; hydrate

internal high similarity DBLink | Rows returned: 3
SPE01500274 0.9041
LOPAC 00114 0.9143
LOPAC 00130 1.0000

nonactive | Cluster 15753 | Additional Members: 7 | Rows returned: 6
LOPAC 00135 0.454545454545455
Prest1148 0.454545454545455
SPE01500639 0.454545454545455
LOPAC 00129 0.447368421052632
LOPAC 00130 0
SPE01500436 0

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