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Compound InformationSONAR Target prediction
Name:

Amiprilose hydrochloride

Unique Identifier:LOPAC 00658
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C14ClH28NO6
Molecular Weight:313.606 g/mol
X log p:-0.87  (online calculus)
Lipinksi Failures0
TPSA40.16
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:7
Rotatable Bond Count:7
Canonical Smiles:Cl.CN(C)CCCOC1C(OC2OC(C)(C)OC21)C(O)CO
Class:Immune System
Action:Modulator

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: DEP1
Replicates: 2
Raw OD Value: r im 0.6936±0.0181726
Normalized OD Score: sc h 1.0065±0.0161133
Z-Score: 0.2509±0.649927
p-Value: 0.656062
Z-Factor: -7.09024
Fitness Defect: 0.4215
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:1|E8
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:26.90 Celcius
Date:2005-11-16 YYYY-MM-DD
Plate CH Control (+):0.039575±0.00104
Plate DMSO Control (-):0.695125±0.01957
Plate Z-Factor:0.9428
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DBLink | Rows returned: 122 Next >> 
2158 1-[4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-diol
43261 1-[(1R,3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-d
iol hydrochloride
43262 1-[(1R,3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-d
iol
121928 (1R)-1-[(1R,3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-
1,2-diol
124163 3-[[(1R,3R,4S,5R)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-4-y
l]oxy]-N,N-dimethyl-propan-1-amine
5702212 1-[(3R,4S,5R)-4-(3-dimethylaminopropoxy)-7,7-dimethyl-2,6,8-trioxabicyclo[3.3.0]oct-3-yl]ethane-1,2-diol
hydrochloride

internal high similarity DBLink | Rows returned: 1
SPE01503083 1.0000

active | Cluster 11451 | Additional Members: 4 | Rows returned: 1
SPE01503083 0

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