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Compound InformationSONAR Target prediction
Name:

AMIKACIN SULFATE

Unique Identifier:SPE01500111
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:734.388 g/mol
X log p:-5.135  (online calculus)
Lipinksi Failures2
TPSA53.99
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:18
Rotatable Bond Count:11
Canonical Smiles:NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O.
OS(O)(=O)=O.OS(O)(=O)=O
Source:semisynthetic
Therapeutics:antibacterial

Found: 205 nonactive as graph: single | with analogs 1 2 3 4 5 6 7 8 9 10  Next >> [205]
Species: 4932
Condition: AAT2
Replicates: 2
Raw OD Value: r im 0.7618±0.0039598
Normalized OD Score: sc h 1.0239±0.0103843
Z-Score: 1.2644±0.523936
p-Value: 0.236718
Z-Factor: -2.83456
Fitness Defect: 1.4409
Bioactivity Statement: Nonactive
Experimental Conditions
Library:SPECMTS3
Plate Number and Position:4|D4
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:23.60 Celcius
Date:2008-04-08 YYYY-MM-DD
Plate CH Control (+):0.03925±0.00089
Plate DMSO Control (-):0.7198±0.01536
Plate Z-Factor:0.9260
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DBLink | Rows returned: 4
38351 (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan
-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hyd
roxy-butanamide; sulfuric acid
176793 (2S)-4-amino-N-[(1S,2R,3S,4S,5R)-5-amino-4-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan
-2-yl]oxy-2-[(2R,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hyd
roxy-butanamide; sulfuric acid
5458175 (2S)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan
-2-yl]oxy-4-[(2R,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hyd
roxy-butanamide; sulfuric acid
5702006 (2R)-4-amino-N-[(1R,2S,3S,4R,5S)-5-amino-2-[(2S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-
yl]oxy-4-[(2R,3R,4S,5R,6R)-6-(aminomethyl)-3,4,5-trihydroxy-oxan-2-yl]oxy-3-hydroxy-cyclohexyl]-2-hydrox
y-butanamide; sulfuric acid

internal high similarity DBLink | Rows returned: 1
SPE01500818 0.9023

active | Cluster 606 | Additional Members: 9 | Rows returned: 0
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