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Compound InformationSONAR Target prediction
Name:

(±)-Octopamine hydrochloride

Unique Identifier:LOPAC 00135
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C8ClH12NO2
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:Adrenoceptor
Action:Agonist
Selectivity:alpha

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: CIN2
Replicates: 2
Raw OD Value: r im 0.8213±0.000989949
Normalized OD Score: sc h 1.0089±0.00676504
Z-Score: 0.6541±0.448081
p-Value: 0.533726
Z-Factor: -8.1239
Fitness Defect: 0.6279
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|F3
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-12-07 YYYY-MM-DD
Plate CH Control (+):0.03895±0.00095
Plate DMSO Control (-):0.803575±0.01339
Plate Z-Factor:0.9289
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DBLink | Rows returned: 81 2 Next >> 
4581 4-(2-amino-1-hydroxy-ethyl)phenol
20592 [2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium chloride
102484 4-(2-amino-1-hydroxy-ethyl)phenol hydrochloride
440266 4-[(1R)-2-amino-1-hydroxy-ethyl]phenol
448337 4-[(1S)-2-amino-1-hydroxy-ethyl]phenol
657354 4-(2-amino-1-hydroxy-ethyl)phenol; hydrogen(+1) cation; chloride

internal high similarity DBLink | Rows returned: 1
SPE01500639 1.0000

nonactive | Cluster 15753 | Additional Members: 7 | Rows returned: 6
Prest1148 0.454545454545455
SPE01500639 0.454545454545455
LOPAC 00129 0.447368421052632
LOPAC 00130 0
LOPAC 00648 0
SPE01500436 0

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