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Compound InformationSONAR Target prediction
Name:

OCTOPAMINE HYDROCHLORIDE

Unique Identifier:SPE01500639
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:177.544 g/mol
X log p:7.337  (online calculus)
Lipinksi Failures1
TPSA0
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:2
Canonical Smiles:Cl.NCC(O)c1ccc(O)cc1
Class:alkaloid
Source:salivary glands of Octopus vulgaris; also Capsicum frutescens & Cyperus spp; ND-50
Therapeutics:adrenergic agonist

Found: 2 active | as graph: single | with analogs 1 2 Next >> 
Species: 4932
Condition: HTZ1
Replicates: 2
Raw OD Value: r im 0.4855±0.0340118
Normalized OD Score: sc h 2.0700±0.7887
Z-Score: 4.0093±0.577546
p-Value: 0.00016357
Z-Factor: -3.15954
Fitness Defect: 8.7183
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:19|G3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.40 Celcius
Date:2007-09-26 YYYY-MM-DD
Plate CH Control (+):0.040124999999999994±0.00095
Plate DMSO Control (-):0.19715±0.09395
Plate Z-Factor:-1.5124
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DBLink | Rows returned: 8<< Back 1 2
6918910 [(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium
6950152 [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium

internal high similarity DBLink | Rows returned: 1
LOPAC 00135 1.0000

nonactive | Cluster 15753 | Additional Members: 7 | Rows returned: 6
LOPAC 00135 0.454545454545455
Prest1148 0.454545454545455
LOPAC 00129 0.447368421052632
LOPAC 00130 0
LOPAC 00648 0
SPE01500436 0

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