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Compound InformationSONAR Target prediction
Name:

NOREPINEPHRINE

Unique Identifier:SPE01500436
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:159.098 g/mol
X log p:5.47  (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
Source:synthetic
Therapeutics:adrenergic agonist, antihypotensive
Generic_name:NORADRENALINE
Chemical_iupac_name:L-NOREPINEPHRINE
Drug_type:Experimental
Drugbank_id:EXPT02050
Drug_category:Phenylalanine Hydroxylase inhibitor
Organisms_affected:-1

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: FET3
Replicates: 2
Raw OD Value: r im 0.5934±0.0402344
Normalized OD Score: sc h 0.8406±0.0443852
Z-Score: -6.6582±1.59025
p-Value: 0.0000000156786
Z-Factor: -0.250915
Fitness Defect: 17.971
Bioactivity Statement: Active
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:19|A8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.80 Celcius
Date:2008-01-10 YYYY-MM-DD
Plate CH Control (+):0.0406±0.00065
Plate DMSO Control (-):0.6779±0.01575
Plate Z-Factor:0.9237
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DBLink | Rows returned: 11<< Back 1 2
3810693 [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]azanium
6398887 4-[(1R)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol
6914092 4-(2-amino-1,2,2-trideuterio-1-hydroxy-ethyl)benzene-1,2-diol
6921839 [(2S)-2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]azanium
6921840 [(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]azanium

internal high similarity DBLink | Rows returned: 0

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
LOPAC 00648 0

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