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Compound InformationSONAR Target prediction
Name:

Nisoxetine hydrochloride

Unique Identifier:LOPAC 00132
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C17ClH22NO2
Molecular Weight:285.64 g/mol
X log p:19.496  (online calculus)
Lipinksi Failures1
TPSA18.46
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:7
Canonical Smiles:Cl.CNCCC(Oc1ccccc1OC)c1ccccc1
Class:Adrenoceptor
Action:Blocker
Selectivity:Reuptake

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: GIM3
Replicates: 4
Raw OD Value: r im 0.5195±0.148213
Normalized OD Score: sc h 1.0261±0.0116513
Z-Score: 0.4478±0.228274
p-Value: 0.654614
Z-Factor: -3.22894
Fitness Defect: 0.4237
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:12|C2
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.0453±0.00117
Plate DMSO Control (-):0.635275±0.14583
Plate Z-Factor:0.0916
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DBLink | Rows returned: 111 2 Next >> 
4500 3-(2-methoxyphenoxy)-N-methyl-3-phenyl-propan-1-amine
134453 3-(2-methoxyphenoxy)-N-methyl-3-phenyl-propan-1-amine hydrochloride
449738 3-(2-methoxyphenoxy)-N-methyl-3-phenyl-propan-1-amine
1049221 (3S)-N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
1049222 (3R)-N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine
3061511 N,N-dimethyl-3-phenyl-3-(2-phenylmethoxyphenoxy)propan-1-amine

internal high similarity DBLink | Rows returned: 0

active | Cluster 2272 | Additional Members: 9 | Rows returned: 3
Prest266 0.517857142857143
Prest798 0
SPE01504173 0

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