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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: 204 nonactive | as graph: single | with analogs [1] << Back 31 32 33 34 35 36 37 38 39 40  Next >> [204]
Species: 4932
Condition: CIN2
Replicates: 2
Raw OD Value: r im 0.8076±0.000989949
Normalized OD Score: sc h 1.0106±0.00329141
Z-Score: 0.5972±0.19554
p-Value: 0.554154
Z-Factor: -9.62452
Fitness Defect: 0.5903
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Spectrum
Plate Number and Position:16|C5
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.00 Celcius
Date:2006-02-14 YYYY-MM-DD
Plate CH Control (+):0.03855±0.00194
Plate DMSO Control (-):0.777875±0.01293
Plate Z-Factor:0.9646
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DBLink | Rows returned: 112 Next >> 
951 4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol
5814 4-[(1S)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol
5923 4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol hydrochloride
9488 [2-(3,4-dihydroxyphenyl)-2-hydroxy-ethyl]azanium chloride
439260 4-[(1R)-2-amino-1-hydroxy-ethyl]benzene-1,2-diol
450781 4-(2-amino-1-hydroxy-ethyl)benzene-1,2-diol

internal high similarity DBLink | Rows returned: 0

active | Cluster 15753 | Additional Members: 7 | Rows returned: 1
SPE01500639 0.454545454545455

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