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Compound InformationSONAR Target prediction
Name:

YS-035 hydrochloride

Unique Identifier:LOPAC 00162
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:C21ClH30NO4
Molecular Weight:365.682 g/mol
X log p:14.329  (online calculus)
Lipinksi Failures1
TPSA40.16
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:5
Rotatable Bond Count:10
Canonical Smiles:Cl.COc1ccc(CCN(C)CCc2ccc(OC)c(OC)c2)cc1OC
Class:Ca2+ Channel
Action:Blocker
Selectivity:L-type

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 0.5441±0.143985
Normalized OD Score: sc h 1.0276±0.0383608
Z-Score: 0.6708±0.889926
p-Value: 0.454742
Z-Factor: -3.79933
Fitness Defect: 0.788
Bioactivity Statement: Nonactive
Experimental Conditions
Library:Lopac
Plate Number and Position:16|B11
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:27.70 Celcius
Date:2005-04-08 YYYY-MM-DD
Plate CH Control (+):0.0463±0.00190
Plate DMSO Control (-):0.6698625000000001±0.13841
Plate Z-Factor:0.0496
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DBLink | Rows returned: 92 Next >> 
5714 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-ethanamine
5715 bis[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium
29748 bis[2-(3,4-dimethoxyphenyl)ethyl]azanium chloride
29749 2-(3,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]ethanamine
56017 bis[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium chloride
215355 2-(3,4-dimethoxyphenyl)-N-phenethyl-ethanamine hydrochloride

internal high similarity DBLink | Rows returned: 0

active | Cluster 3209 | Additional Members: 11 | Rows returned: 0

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